3,6-bis(3,6-di-tert-butyl-9-carbazolyl)-N-phenylcarbazole | 1256943-89-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 3,6-bis(3,6-di-tert-butyl-9-carbazolyl)-N-phenylcarbazole
• 英文别名: 3,6-Ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9-phenylcarbazol-3-yl]carbazole
• CAS: 1256943-89-1
• 化学式: C₅₈H₅₉N₃
• 分子量: 798.127
• InChiKey: YGAMXXRCENQAEO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  17.8
• 重原子数：
  61
• 可旋转键数：
  7
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  14.8
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为产物：
  描述：

  碘苯 在 tris-(dibenzylideneacetone)dipalladium(0) 、 N-溴代丁二酰亚胺(NBS) 、 copper(l) iodide 、 1,10-菲罗啉 、 三叔丁基膦 、 potassium carbonate 、 sodium t-butanolate 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 反应 60.0h， 生成 3,6-bis(3,6-di-tert-butyl-9-carbazolyl)-N-phenylcarbazole
  参考文献：
  名称：

  High-triplet-energy tri-carbazole derivatives as host materials for efficient solution-processed blue phosphorescent devices

  摘要：

  一种新型的可溶液加工的基于咔唑的主材料，包括3,6-bis(N-carbazolyl)-N-phenylcarbazole (BCC-36)、3,6-bis(3,6-di-tert-butyl-9-carbazolyl)-N-phenylcarbazole (BTCC-36)、2,7-bis(N-carbazolyl)-N-phenylcarbazole (BCC-27)和2,7-bis(3,6-di-tert-butyl-9-carbazolyl)-N-phenylcarbazole (BTCC-27)，被设计和合成。由于高度扭曲的构型，这些主材料展现出高的三重态能级（2.90–3.02 eV）和高的玻璃转变温度（147–210 °C）。它们还表现出合适的HOMO能级（−5.21–−5.36 eV），从而改善了载流子的注入特性。这些新化合物用于制造磷光有机发光二极管（OLED），作为与铱(III) bis(4,6-difluorophenylpyridinato)-picolinate（FIrpic）和铱(III) bis(4′,6′-difluorophenylpyridinato)tetrakis(1-pyrazolyl)borate（FIr6）掺杂的主材料，通过旋涂工艺制备。基于FIrpic的蓝光发射器件的最佳性能具有较低的开启电压为3.9 V，最高效率为27.2 cd A−1（11.8 lm W−1），以及最大外量子效率为14.0%。此外，基于FIr6的深蓝光发射器件的最佳性能表现为启动电压4.9 V，最高效率为11.5 cd A−1（4.9 lm W−1），以及最大外量子效率为6.8%。这些性能数据在溶液加工的蓝色磷光OLED中表现突出。

  DOI：

  10.1039/c0jm03365k

文献信息

• Organic electroluminescent element, compound and material for organic electroluminescent element, used in the same, and light emitting device, display device and illumination device, using the element
  申请人：UDC IRELAND LIMITED

  公开号：US10297760B2

  公开（公告）日：2019-05-21

  An organic electroluminescent element comprising a substrate, a pair of electrodes including an anode and a cathode, disposed on the substrate, and at least one organic layer which is arranged between the electrodes and which includes a light emitting layer, wherein the organic layer contains a compound represented by general formula (1) in at least one layer. The organic electroluminescent element has a high luminous efficiency, excellent blue color purity, and little chromaticity change due to drive deterioration. (In the formula, the two Xs either both represent an O atom or both represent an S atom, and R1-R10 each independently represents a hydrogen atom or a substituent group).

  一种有机电致发光元件，包括基板、一对电极包括阳极和阴极，设置在基板上，并且至少包括一个有机层，该有机层位于电极之间并包括一个发光层，其中该有机层至少包含一层由通式（1）表示的化合物。该有机电致发光元件具有高发光效率、优异的蓝色纯度和由于驱动恶化引起的色度变化较小的特点。（在式子中，两个X代表O原子或S原子，R1-R10各自独立地表示氢原子或取代基）。
• ORGANIC SEMICONDUCTOR COMPOSITION AND SEMICONDUCTING LAYER OBTAINED THEREFROM
  申请人：Solvay SA

  公开号：EP3257849A1

  公开（公告）日：2017-12-20

  The present invention concerns a composition comprising at least one crystalline organic semiconductor and at least one compound of formula wherein R1, R2, R3, R4, R5, R6, R7 and R8, which may be the same or different, represent H or a C1-C50 hydrocarbyl or heterohydrocarbyl group, and wherein Ar is an optionally substituted aryl or heteroaryl group.

  本发明涉及一种组合物，该组合物包含至少一种结晶有机半导体和至少一种式化合物 其中 R1、R2、R3、R4、R5、R6、R7 和 R8（可以相同或不同）代表 H 或 C1-C50 烃基或杂烃基，其中 Ar 是任选取代的芳基或杂芳基。
• Photoelectric conversion element, imaging element, optical sensor comprising a photoelectric conversion film containing a predetermined compound, and compound
  申请人：FUJIFILM Corporation

  公开号：US11171165B2

  公开（公告）日：2021-11-09

  The present invention provides a photoelectric conversion element including a photoelectric conversion film having a narrow half-width of absorption peak and an excellent photoelectric conversion efficiency, and an imaging element, an optical sensor, and a compound. The photoelectric conversion element according to the present invention includes a conductive film, a photoelectric conversion film, and a transparent conductive film, in this order, in which the photoelectric conversion film contains a compound represented by Formula (1).

  本发明提供了一种光电转换元件，包括具有窄吸收峰半宽和优异光电转换效率的光电转换薄膜，以及成像元件、光学传感器和化合物。根据本发明的光电转换元件依次包括导电薄膜、光电转换薄膜和透明导电薄膜，其中光电转换薄膜包含由式（1）表示的化合物。
• Organic electroluminescent element, material for organic electroluminescent element, light emitting device, display device and lighting device each using said element, and compound used for said element
  申请人：UDC Ireland Limited

  公开号：US11171293B2

  公开（公告）日：2021-11-09

  This application relates, in part, to an organic electroluminescent element including a substrate, a pair of electrodes including an anode and a cathode, disposed on the substrate, and at least one organic layer including a light emitting layer, disposed between the electrodes, in which at least one layer of the organic layer(s) contains a compound represented by the following formula (1). The organic electroluminescent element has low driving voltage and excellent durability. wherein X1 to X11 represent CR0 or N, and R0 represents a hydrogen atom or a substituent. Adjacent two of X1 to X11 each independently represent at least CR0, R0s of the adjacent two CR0s are bonded to each other to form a ring, and only one R0 of the adjacent two CR0s represents an aryl group or a heteroaryl group.

  本申请部分涉及一种有机电致发光元件，包括基板、设置在基板上的一对电极（包括阳极和阴极）以及设置在电极之间的至少一层有机层（包括发光层），其中至少一层有机层含有下式（1）表示的化合物。有机电致发光元件具有低驱动电压和出色的耐用性。 其中 X1 至 X11 代表 CR0 或 N，R0 代表氢原子或取代基。X1 至 X11 的相邻两个各自独立地至少代表 CR0，相邻两个 CR0 的 R0 相互键合形成环，且相邻两个 CR0 中只有一个 R0 代表芳基或杂芳基。
• ORGANIC ELECTROLUMINESCENT DEVICE
  申请人：TAKADA Saki

  公开号：US20100171111A1

  公开（公告）日：2010-07-08

  An organic electroluminescent device is provided and includes: a pair of electrodes; and a light emitting layer between the electrodes. The organic electroluminescent device has a layer containing a compound represented by formula (I). L represents a divalent linking group, Q 1 and Q 2 each independently represents an aromatic or aliphatic heterocycle coordinated to Pt through a nitrogen atom, X 1 represents a 6-membered ring containing one or more nitrogen atoms, Q 1 , Q 2 , and X 1 each independently may have a substituent, X 2 represents a sulfur atom, a phosphorus atom, an oxygen atom, or a nitrogen atom, and X 3 represents a carbon atom, a sulfur atom, or a phosphorus atom.