9-苯基-9'-(4-苯基-2-喹唑啉基)-3,3'-联-9H-咔唑 | 1398395-92-0

• 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-苯基-9'-(4-苯基-2-喹唑啉基)-3,3'-联-9H-咔唑
• 英文名称: 9-phenyl-9’-(4-phenylquinazolin-2-yl)-9H,9'H-3,3-bicarbazole
• 英文别名: 3-(9-Phenylcarbazol-3-yl)-9-(4-phenylquinazolin-2-yl)carbazole
• CAS: 1398395-92-0
• 化学式: C₄₄H₂₈N₄
• 分子量: 612.733
• InChiKey: DEECBJZHFWCFGJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.3
• 重原子数：
  48
• 可旋转键数：
  4
• 环数：
  10.0
• 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：

  2-氯-4-苯基喹唑啉 、 9'-苯基-9H,9H'-3,3'-咔唑 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以59 %的产率得到9-苯基-9'-(4-苯基-2-喹唑啉基)-3,3'-联-9H-咔唑
  参考文献：
  名称：

  咔唑和喹唑啉衍生物作为红色磷光 OLED 的主体材料，表现出高效率和亮度

  摘要：

  发光层中的主体材料在磷光有机发光二极管（PhOLED）中发挥着重要作用。两种红色磷光双极主体材料，9-苯基-9'-(4-苯基喹唑啉-2-基)-9H,9'H-3,3'-联咔唑 () 和 10-(9-苯基-9H-咔唑) -3-基)-7-(4-苯基喹唑啉-2-基)-7H-苯并[c]咔唑()，由9-苯基-9H,9'H-3,3'-联咔唑的咔唑部分组成，和合成并表征了10-(9-苯基-9H-咔唑-3-基)-7H-苯并[c]咔唑作为空穴传输基团和喹唑啉部分作为电子传输基团。该材料表现出良好的热稳定性和合适的三线态能级，制备的红色PhOLED表现出良好的性能。客体材料掺杂量为3 wt%制备的OLED表现出优化的性能，开启电压为2.8 V，最大亮度为114000 cd/m，最大电流效率为21.60 cd/A，最大功率效率为24.24 lm/W，最大外量子效率 (EQE) 为 25.11%（在 132 cd/m

  DOI：

  10.1016/j.dyepig.2024.112145

文献信息

• THIOPHENE-CONTAINING TRIARYLAMINE COMPOUNDS
  申请人：Xia Chuanjun

  公开号：US20190165278A1

  公开（公告）日：2019-05-30

  Thiophene-containing triarylamine compounds are disclosed. The said compounds have a structure of triarylamine, and connect specific thiophene-containing group. The compounds may be used as hole transporting materials, hole injection materials, or the like in an electroluminescent device. Compared to existing hole transporting materials, hole injection materials, the novel compounds can also offer excellent device performance. An electroluminescent device and a formulation comprising the compounds are also disclosed.

  含有噻吩基三芳胺化合物已被披露。所述化合物具有三芳胺结构，并连接特定的含噻吩基团。这些化合物可用作电致发光器件中的空穴传输材料、空穴注入材料等。与现有的空穴传输材料、空穴注入材料相比，这些新化合物还可以提供出色的器件性能。还披露了一种电致发光器件和包含这些化合物的配方。
• 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。
• COMPOSITION FOR OPTOELECTRONIC DEVICE AND ORGANIC OPTOELECTRONIC DEVICE AND DISPLAY DEVICE
  申请人：SAMSUNG SDI CO., LTD.

  公开号：US20200266358A1

  公开（公告）日：2020-08-20

  A composition for an organic optoelectronic device, an organic optoelectronic device, and a display device, the composition including a first compound; a second compound; and a third compound, the first compound, the second compound, and the third compound are different from each other, the first compound is represented by Chemical Formula I, the second compound is represented by Chemical Formula II or Chemical Formula III, and the third compound is represented by Chemical Formula II or Chemical Formula III,

  一种用于有机光电器件的组合物，有机光电器件以及显示装置，所述组合物包括第一化合物；第二化合物；和第三化合物，所述第一化合物，第二化合物和第三化合物彼此不同，所述第一化合物由化学式I表示，所述第二化合物由化学式II或化学式III表示，所述第三化合物由化学式II或化学式III表示。
• 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。
• ORGANIC LIGHT-EMITTING ELEMENT
  申请人：LG CHEM, LTD.

  公开号：US20210359223A1

  公开（公告）日：2021-11-18

  Provided is an organic light-emitting element comprising: a first electrode; a second electrode provided to face the first electrode; and an organic material layer provided between the first electrode and the second electrode, in which the organic material layer comprises a layer comprising a compound of Formula 1: wherein: L1 is a direct bond, or a substituted or unsubstituted arylene or heteroarylene group; Ar1 is a substituted or unsubstituted aryl or heteroaryl group; R1 to R12 are each independently hydrogen, a nitrile group, a halogen, or a substituted or unsubstituted alkyl, silyl, aryl or heteroaryl group, or adjacent groups bond together to form a ring; and any two adjacent R1 to R4 bond together to form a substituted or unsubstituted aromatic ring, and a layer comprising a compound of Formula 2: wherein: Ar2 to Ar4 are each independently a substituted or unsubstituted aryl group having 6 to 20 carbon atoms, or -L2-Z.

  提供的有机发光元件包括：第一电极；设置在面对第一电极的第二电极；以及设置在第一电极和第二电极之间的有机材料层，其中有机材料层包括一个包含Formula 1化合物的层：其中：L1是直接键，或取代或未取代的芳基或杂芳基；Ar1是取代或未取代的芳基或杂芳基；R1至R12分别独立地是氢、腈基、卤素或取代或未取代的烷基、硅基、芳基或杂芳基，或相邻基结合形成环；任意两个相邻的R1至R4结合形成取代或未取代的芳环，以及一个包含Formula 2化合物的层：其中：Ar2至Ar4分别独立地是取代或未取代的含有6至20个碳原子的芳基，或-L2-Z。