9,9′,9”-三苯基-3,3′:6′,3”-三-9H-咔唑 | 1141757-83-6

• 物质功能分类: 有机原料 - 杂环化合物
• 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
• 中文名称: 9,9′,9”-三苯基-3,3′:6′,3”-三-9H-咔唑
• 英文名称: 3,6-bis(9-phenylcarbazol-3-yl)carbazole
• 英文别名: 3,6-bis(9'-phenyl-9Η-carbazol-3-yl)-9-phenyl-9H-carbazole；9,9',9''-triphenyl-9H,9'H,9''H-3,3':6',3''-tercarbazole；Tris-PCz；9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole
• CAS: 1141757-83-6
• 化学式: C₅₄H₃₅N₃
• 分子量: 725.892
• InChiKey: FXKMXDQBHDTQII-UHFFFAOYSA-N

物化性质

• 密度：
  1.23±0.1 g/cm3(Predicted)
• 熔点：
  TGA: >270 °C?(0.5% weight loss)

计算性质

• 辛醇/水分配系数(LogP)：
  14.4
• 重原子数：
  57
• 可旋转键数：
  5
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  14.8
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  9,9′,9”-三苯基-3,3′:6′,3”-三-9H-咔唑 在 N-溴代丁二酰亚胺(NBS) 、 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 8.0h， 以64%的产率得到3,6-bis(6-bromo-9-phenylcarbazol-3-yl)-9-phenylcarbazole
  参考文献：
  名称：

  유기 발광 화합물 및 이를 이용한 유기 전계 발광 소자

  摘要：

  本发明涉及一种新型环形化合物，其具有优异的注入和传输能力、发光能力，闭环结构中包含一个或多个卡巴졸类环，并通过将其包含在一个或多个有机层中，从而提高有机电致发光器件的发光效率、驱动电压、寿命等特性。

  公开号：

  KR101847236B1
• 作为产物：
  描述：

  9-苯基-9H-咔唑-3-硼酸哪醇酯 、 3,6-二溴-9-苯基咔唑 在 四(三苯基膦)钯 、 potassium carbonate 作用下， 以 乙醇 、 水 、 甲苯 为溶剂， 反应 5.0h， 以60.9%的产率得到9,9′,9”-三苯基-3,3′:6′,3”-三-9H-咔唑
  参考文献：
  名称：

  TWI656117

  摘要：

  公开号：

文献信息

• ORGANIC LIGHT EMITTING DEVICE
  申请人：SAMSUNG DISPLAY CO., LTD.

  公开号：US20170288147A1

  公开（公告）日：2017-10-05

  An organic light emitting device including an anode; a hole transport region on the anode; an emission layer on the hole transport region; an electron transport region on the emission layer; and a cathode on the electron transport region, wherein the hole transport region includes: a first hole transport layer including a first hole transport material represented by the following Formula 1 or a second hole transport material represented by the following Formula 2; and a second hole transport layer on the first hole transport layer, the second hole transport layer including a third hole transport material represented by the following Formula 3 or a fourth hole transport material represented by the following Formula 4:

  一种有机发光器件，包括：阳极；位于阳极上的空穴传输区域；位于空穴传输区域上的发射层；位于发射层上的电子传输区域；以及位于电子传输区域上的阴极，其中空穴传输区域包括：第一空穴传输层，包括由以下化学式1表示的第一空穴传输材料或由以下化学式2表示的第二空穴传输材料；以及位于第一空穴传输层上的第二空穴传输层，第二空穴传输层包括由以下化学式3表示的第三空穴传输材料或由以下化学式4表示的第四空穴传输材料：
• ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES
  申请人：Universal Display Corporation

  公开号：US20160218303A1

  公开（公告）日：2016-07-28

  A family of phosphorescent emitter compounds containing a carbene ligand L A selected from the group consisting of: is disclosed. These compounds enhance the performance of OLEDs when incorporated therein.

  揭示了一类含有从以下组中选择的卡宾配体L的磷光发射物化合物家族。这些化合物在其中加入后提高了OLED的性能。
• [EN] SILYL SUBSTITUTED AZADIBENZOFURANS AND AZADIBENZOTHIOPHENES<br/>[FR] AZADIBENZOFURANES SUBSTITUÉS PAR SILYLE ET AZADIBENZOTHIOPHÈNES
  申请人：BASF SE

  公开号：WO2015114102A1

  公开（公告）日：2015-08-06

  The present invention relates to compounds of formula (I), which are characterized in that they are substituted by at least one group of formula (II) and in that at least one of the substituents B1, B2, B3, B4, B5, B6, B7 and B8 represents N; a process for their production and their use in electronic devices, especially electroluminescent devices. When used as electron transport material, hole blocking material and/or host material for phosphorescent emitters in electroluminescent devices, the compounds of formula I may provide improved efficiency, stability, manufacturability, or spectral characteristics of electroluminescent devices.

  本发明涉及公式（I）的化合物，其特征在于它们至少被一个公式（II）的组取代，且B1、B2、B3、B4、B5、B6、B7和B8中的至少一个代表N；它们的生产过程以及在电子设备中的用途，特别是在电致发光设备中的用途。当在电致发光设备中作为电子传输材料、空穴阻挡材料和对磷光发射器的宿主材料使用时，公式I的化合物可能会提供改进的电致发光设备的效率、稳定性、可制造性或光谱特性。
• [EN] BISIMIDAZOLODIAZOCINES<br/>[FR] BIS-IMIDAZOLO-DIAZOCINES
  申请人：IDEMITSU KOSAN CO

  公开号：WO2016125110A1

  公开（公告）日：2016-08-11

  The present invention relates to an organic electronic device, preferably an OLED, comprising a Bisimidazolodiazocine of formula (I) charge transport layer, a charge/exciton blocker layer, or an emitting layer comprising the Bisimidazolodiazocine; an apparatus selected from the group consisting of stationary visual display units; mobile visual display units; illumination units; keyboards; items of clothing; furniture; wallpaper, comprising the inventive organic electronic device, or the inventive charge transport layer, the charge/exciton blocker layer, or the emitting layer; the use of the Bisimidazolodiazocines for electrophotographic photoreceptors, photoelectric converters, organic solar cells, switching elements, organic light emitting field effect transistors, image sensors, dye lasers and electroluminescent devices; a process for the production of the Bisimidazolodiazocines and specific Bisimidazolodiazocines..

  本发明涉及一种有机电子器件，优选为OLED，包括式(I)的双咪唑二唑啉的电荷传输层，电荷/激子阻挡层，或包括双咪唑二唑啉的发射层；选自固定视觉显示单元组、移动视觉显示单元、照明单元、键盘、服装、家具、墙纸的装置，包括所述创新的有机电子器件，或创新的电荷传输层、电荷/激子阻挡层或发射层；双咪唑二唑啉用于电子照相感光鼓、光电转换器、有机太阳能电池、开关元件、有机发光场效应晶体管、图像传感器、染料激光器和电致发光器件的用途；一种生产双咪唑二唑啉和特定双咪唑二唑啉的方法。
• Organic Electroluminescent Materials and Devices
  申请人：Universal Display Corporation

  公开号：US20200274081A1

  公开（公告）日：2020-08-27

  A compound of Formula I wherein: ring B is a 5-membered heterocyclic ring, or a 6-membered carbocyclic ring; each of X 1 and X 2 is independently C, CR, or N, with at least one of them being C; each of X 3 -X 11 is independently C, CR, or N, with at least one of them being N, and two adjacent of X 3 -X 7 are carbon-fused to the shown moiety through the linkage indicated by the two squiggly lines; Y is selected from the group consisting of O, S, Se, NR′, CR′R″, and SiR′R″; each of R A and R B independently represents zero, mono, or up to a maximum allowed substitution to its associated ring; each of R, R′, R″, R A , and R B is independently a hydrogen or a substituent selected from the group consisting of —SiR 1 R 2 R 3 or —GeR 1 R 2 R 3 , deuterium, halogen, alkyl, cycloalkyl, heteroalkyl, heterocycloalkyl, arylalkyl, alkoxy, aryloxy, amino, silyl, boryl, alkenyl, cycloalkenyl, heteroalkenyl, alkynyl, aryl, heteroaryl, acyl, carboxylic acid, ether, ester, nitrile, isonitrile, sulfanyl, sulfinyl, sulfonyl, phosphino, and combinations thereof, with at least one of R A or R B comprising —SiR 1 R 2 R 3 or —GeR 1 R 2 R 3 ; each of R 1 , R 2 , and R 3 is independently selected from the group consisting of alkyl, aryl group, heteroaryl group, and combinations thereof; and any two substituents are optionally joined or fused to form a ring where chemically feasible.

  根据公式I的化合物 其中： 环B是5元的杂环，或者是6元的碳环； X1和X2各自独立为C、CR或N，其中至少有一个是C； X3-X11各自独立为C、CR或N，其中至少有一个是N，并且X3-X7的两个相邻碳与所示基团通过波浪线指示的连接方式碳融合； Y选自由O、S、Se、NR'、CR'R"和SiR'R"组成的组； RA和RB各自独立代表其相关环允许的最大取代数，零、单或至多； R、R'、R"、RA和RB各自独立为氢或选自—SiR1R2R3或—GeR1R2R3，氘，卤素，烷基，环烷基，杂烷基，杂环烷基，芳烷基，烷氧基，芳氧基，氨基，硅基，硼基，烯基，环烯基，杂烯基，炔基，芳基，杂芳基，酰基，羧酸，醚，酯，腈，异腈，硫anyl，亚磺酰基，磺酰基，磷基和它们的组合的取代基，其中至少一个RA或RB包含—SiR1R2R3或—GeR1R2R3； R1、R2和R3各自独立选自烷基，芳基组，杂芳基组和它们的组合；并且 任意两个取代基可选择性连接或融合成环，在化学上可行的话。