bis[3-(9H-carbazol-9-yl)phenyl]pyrimidine | 1262678-76-1

• 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: bis[3-(9H-carbazol-9-yl)phenyl]pyrimidine
• 英文别名: 2,6-Bis(3-(carbazol-9-yl)phenyl)pyrimidine；9-[3-[2-(3-carbazol-9-ylphenyl)pyrimidin-4-yl]phenyl]carbazole
• CAS: 1262678-76-1
• 化学式: C₄₀H₂₆N₄
• 分子量: 562.673
• InChiKey: GJOVXLOFYZFKLB-UHFFFAOYSA-N

物化性质

• 熔点：
  185 °C(Solv: chloroform (67-66-3); hexane (110-54-3))
• 密度：
  1.25±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  9.7
• 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：
  35.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  1-溴-3-碘苯 在 bis-triphenylphosphine-palladium(II) chloride 、 tris-(dibenzylideneacetone)dipalladium(0) 、 potassium acetate 、 铜 、 potassium carbonate 、 三环己基膦 作用下， 以 1,4-二氧六环 、 N,N-二甲基甲酰胺 为溶剂， 生成 bis[3-(9H-carbazol-9-yl)phenyl]pyrimidine
  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

• Light-emitting element
  申请人：SEMICONDUCTOR ENERGY LABORATORY CO., LTD.

  公开号：US10734594B2

  公开（公告）日：2020-08-04

  To provide a light-emitting element which uses a fluorescent material as a light-emitting substance and has higher luminous efficiency. To provide a light-emitting element which includes a mixture of a thermally activated delayed fluorescent substance and a fluorescent material. By making the emission spectrum of the thermally activated delayed fluorescent substance overlap with an absorption band on the longest wavelength side in absorption by the fluorescent material in an S1 level of the fluorescent material, energy at an S1 level of the thermally activated delayed fluorescent substance can be transferred to the S1 of the fluorescent material. Alternatively, it is also possible that the S1 of the thermally activated delayed fluorescent substance is generated from part of the energy of a T1 level of the thermally activated delayed fluorescent substance, and is transferred to the S1 of the fluorescent material.

  提供一种使用荧光材料作为发光物质且发光效率更高的发光元件。提供一种包括热激活延迟荧光物质和荧光材料混合物的发光元件。通过使热激活延迟荧光物质的发射光谱与荧光材料 S1 层中荧光材料吸收的最长波长侧的吸收带重叠，可将热激活延迟荧光物质 S1 层的能量转移到荧光材料的 S1 层。或者，热激活延迟荧光物质的 S1 也可以由热激活延迟荧光物质的 T1 级的部分能量产生，并转移到荧光材料的 S1 上。
• Light-Emitting Element
  申请人：Semiconductor Energy Laboratory Co., Ltd.

  公开号：US20170133617A1

  公开（公告）日：2017-05-11

  To provide a light-emitting element which uses a fluorescent material as a light-emitting substance and has higher luminous efficiency. To provide a light-emitting element which includes a mixture of a thermally activated delayed fluorescent substance and a fluorescent material. By making the emission spectrum of the thermally activated delayed fluorescent substance overlap with an absorption band on the longest wavelength side in absorption by the fluorescent material in an S 1 level of the fluorescent material, energy at an S 1 level of the thermally activated delayed fluorescent substance can be transferred to the S 1 of the fluorescent material. Alternatively, it is also possible that the S 1 of the thermally activated delayed fluorescent substance is generated from part of the energy of a T 1 level of the thermally activated delayed fluorescent substance, and is transferred to the S 1 of the fluorescent material.
• LIGHT-EMITTING ELEMENT
  申请人：SEMICONDUCTOR ENERGY LABORATORY CO., LTD.

  公开号：US20190267564A1

  公开（公告）日：2019-08-29

  To provide a light-emitting element which uses a fluorescent material as a light-emitting substance and has higher luminous efficiency. To provide a light-emitting element which includes a mixture of a thermally activated delayed fluorescent substance and a fluorescent material. By making the emission spectrum of the thermally activated delayed fluorescent substance overlap with an absorption band on the longest wavelength side in absorption by the fluorescent material in an S 1 level of the fluorescent material, energy at an S 1 level of the thermally activated delayed fluorescent substance can be transferred to the S 1 of the fluorescent material. Alternatively, it is also possible that the S 1 of the thermally activated delayed fluorescent substance is generated from part of the energy of a T 1 level of the thermally activated delayed fluorescent substance, and is transferred to the S 1 of the fluorescent material.
• US9947885B2
  申请人：——

  公开号：US9947885B2

  公开（公告）日：2018-04-17