3,3''-二(9H-咔唑-9-基)-1,1':3',1''-三联苯 | 1116499-73-0

• 物质功能分类: 化学试剂 - 有机试剂 - 多环化合物
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 3,3''-二(9H-咔唑-9-基)-1,1':3',1''-三联苯
• 中文别名: 3,3''-二(9H-咔唑-9-基)-间三联苯
• 英文名称: 3,3''-di(9H-carbazol-9-yl)-1,1':3',1''-terphenyl
• 英文别名: 9-[3-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]carbazole
• CAS: 1116499-73-0
• 化学式: C₄₂H₂₈N₂
• 分子量: 560.698
• InChiKey: KBYUHVUTGQEAEK-UHFFFAOYSA-N

物化性质

• 熔点：
  276 °C
• 密度：
  1.18±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  11.3
• 重原子数：
  44
• 可旋转键数：
  4
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  9.9
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为产物：
  描述：

  1-溴-3-碘苯 在 tris-(dibenzylideneacetone)dipalladium(0) 、 四(三苯基膦)钯 、 potassium acetate 、 铜 、 potassium carbonate 、 三环己基膦 作用下， 以 1,4-二氧六环 、 乙醇 、 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 生成 3,3''-二(9H-咔唑-9-基)-1,1':3',1''-三联苯
  参考文献：
  名称：

  RGB Phosphorescent Organic Light-Emitting Diodes by Using Host Materials with Heterocyclic Cores: Effect of Nitrogen Atom Orientations

  摘要：

  A series of host materials 1-7 containing various heterocyclic cores, like pyridine, pyrimidine, and pyrazine, were developed for RGB phosphorescent organic light-emitting diodes (OLEDs). Their energy levels can be tuned by the change of heterocyclic cores and their nitrogen atom orientations, and decrease of singlet-triplet exchange energy (Delta E-ST) was achieved with introducing one or two nitrogen atoms into the central arylene; this is also consistent with density functional theory calculations. Their carrier mobilities can also be tuned by the choice of heterocyclic cores, giving improved bipolarity compared with that without any heterocyclic cores. Due to the high triplet energy level of the developed host materials, well confinement of triplet excitons of blue emitter iridium(III) bis(4,6-(difluorophenyl)pyridinato-N,C-2') picolinate (FIrpic) was achieved except for 7 due to its low E-T. In contrast, triplet energy can be well confined on green emitter fac-tris-(2-phenylpyridine) iridium (Ir(PPy)(3)) and red emitter tris(1-phenylisoquinolinolato-C-2,N)iridium(III) (Ir(piq)(3)) for all the hosts, giving comparable lifetime (tau), photoluminescent quantum efficiency (eta(PL)), and radiative and nonradiative rate constants (k(r) and k(nr)). Highly efficient blue and green phosphorescent OLEDs were achieved for 2, exhibiting one of the highest ever efficiencies to date, especially at much brighter luminance for lighting applications. In comparison, the highest efficiencies hitherto were achieved for the red phosphorescent OLED based on 6, which can be attributed to its lower-lying LUMO level and the smallest Delta E-ST, giving improved electron injection and carrier balance. Different from the blue and green phosphorescent OLEDs based on FIrpic and Ir(PPy)(3), the host materials with lower-lying LUMO levels seem to be better hosts for a red emitter Ir(piq)(3), achieving improved efficiency and reduced efficiency roll-off at high current density.

  DOI：

  10.1021/cm102975d

文献信息

• ORGANIC ELECTROLUMINESCENT DEVICE
  申请人：GUANGDONG AGLAIA OPTOELECTRONIC MATERIALS CO., LTD.

  公开号：US20190263735A1

  公开（公告）日：2019-08-29

  This invention relates to an OLED, comprising an anode, a cathode, and an organic layer, the organic layer at least contains one or more layers containing light emitting layer from the hole injection layer, hole transport layer, electron injection layer, electron transport layer, light emitting layer; the light emitting layer is a host guest doping system composed of host materials and guest materials. The light-emitting zone of the light emitting layer is 490-750 nm, and the host material has a structure with the formula (I). The OLED can emit red or green light, with the advantages of excellent light emitting efficiency, excellent color purity and long lifetime.

  这项发明涉及一种有机发光二极管（OLED），包括阳极、阴极和有机层，该有机层至少包含一个或多个层，从空穴注入层、空穴传输层、电子注入层、电子传输层、发光层中至少包含一个或多个层；发光层是由主体材料和客体材料组成的主客体掺杂系统。发光层的发光区域为490-750纳米，主体材料具有结构式（I）。该OLED可以发出红光或绿光，具有优异的发光效率、优异的色彩纯度和长寿命的优点。
• ORGANIC LIGHT-EMITTING DEVICE AND APPARATUS INCLUDING ORGANIC LIGHT-EMITTING DEVICE
  申请人：Samsung Display Co., Ltd.

  公开号：US20200098991A1

  公开（公告）日：2020-03-26

  Provided are an organic light-emitting device including a first electrode; a second electrode facing the first electrode; and an organic layer between the first electrode and the second electrode and including an emission layer, wherein the emission layer may include at least one condensed cyclic compound represented by Formula 1 and emit light in a near-infrared (NIR) region having a maximum emission wavelength of 680 nanometers (nm) or greater:

  提供了一种有机发光器件，包括第一电极；朝向第一电极的第二电极；以及位于第一电极和第二电极之间的有机层，其中发射层可能包括至少一种由式1表示的紧缩环状化合物，并在近红外（NIR）区域发射波长最大为680纳米（nm）或更大的光：
• FLUORANTHENE DERIVATIVE, ELECTRONIC DEVICE CONTAINING SAME, LIGHT-EMITTING ELEMENT, AND PHOTOELECTRIC CONVERSION ELEMENT
  申请人：Toray Industries, Inc.

  公开号：EP3150579A1

  公开（公告）日：2017-04-05

  To provide a fluoranthene derivative represented by the following specific structure, thereby providing an organic thin-film light emitting device in which all of luminance efficiency, driving voltage and durable life are improved: in which Ar represents a group containing a fluoranthene skeleton; L1 is a substituted or unsubstituted arylene group; L2 is a single bond, a substituted or unsubstituted arylene group, or a substituted or unsubstituted heteroarylene group; and HAr is a substituted or unsubstituted aromatic heterocyclic group containing an electron-accepting nitrogen.

  提供一种以下列具体结构为代表的荧蒽衍生物，从而提供一种有机薄膜发光器件，该器件的发光效率、驱动电压和耐用寿命均得到改善： 其中 Ar 代表含有荧蒽骨架的基团；L1 是取代或未取代的芳基；L2 是单键、取代或未取代的芳基或取代或未取代的杂芳基；HAr 是含有电子接受氮的取代或未取代的芳香杂环基团。
• OLED devices with improved lifetime using non-crystallizable molecular glass mixture hosts
  申请人：Molecular Glasses, Inc.

  公开号：US10593886B2

  公开（公告）日：2020-03-17

  An OLED multilayer electroluminescent device includes a cathode, an anode, a light-emitting layer (LEL) disposed therebetween, and charge-transporting layers disposed between (A) the cathode and the light-emitting layer, (B) the anode and the light-emitting layer, or (C) both (A) and (B). The light-emitting layer (LEL) includes a host material and an emitter. The host material includes a high-entropy non-crystallizable molecular glass mixture, which includes hole-transporting capabilities, electron-transporting capabilities, or ambipolar capabilities. The ambipolar capabilities include hole-transporting capabilities and electron-transporting capabilities.

  一种 OLED 多层电致发光器件包括一个阴极、一个阳极、一个设置在其间的发光层 (LEL)，以及设置在 (A) 阴极和发光层之间、(B) 阳极和发光层之间或 (C) (A) 和 (B) 之间的电荷传输层。发光层（LEL）包括主材料和发射器。主材料包括高熵非结晶分子玻璃混合物，它具有空穴传输能力、电子传输能力或双极性能力。伏极性能力包括空穴传输能力和电子传输能力。
• LIGHT EMITTING ELEMENT
  申请人：Tanaka Daisaku

  公开号：US20130105787A1

  公开（公告）日：2013-05-02

  Provided is an organic thin film light emitting element which has achieved all of improved luminous efficiency, improved driving voltage and improved durability life. Specifically provided is a light emitting element which comprises a hole transport layer and an electron transport layer between a positive electrode and a negative electrode and emits light by means of electrical energy. The light emitting element is characterized in that: the hole transport layer of the light emitting element contains a compound represented by general formula (1); the electron transport layer contains a donor compound; and the donor compound is an alkali metal, an inorganic salt containing an alkali metal, a complex of an alkali metal and an organic substance, an alkaline earth metal, an inorganic salt containing an alkaline earth metal, or a complex of an alkaline earth metal and an organic substance. (In the formula, R 1 -R 20 each represents one group selected from the group consisting of hydrogen, deuterium, an alkyl group, a cycloalkyl group, an amino group, an aryl group, a heterocyclic group, a heteroaryl group, an alkenyl group, a cycloalkenyl group, an alkynyl group, analkoxy group, an alkylthio group, an arylether group, an arylthioether group, a halogen, a cyano group, a —P(═O)R 24 R 25 group and a silyl group; R 24 and R 25 each represents an aryl group or a heteroaryl group; and these substituents may be further substituted, or adjacent two substituents may combine together to form a ring. Meanwhile, R 21 -R 23 may be the same or different and each represents one group selected from the group consisting of an alkyl group, a cycloalkyl group, an aryl group and a heteroaryl group; and these substituents maybe further substituted.)