5-(4-carbazol-9-ylphenyl)-7-methyl-6H-1,4-diazepine-2,3-dicarbonitrile | 607739-97-9

• 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: 5-(4-carbazol-9-ylphenyl)-7-methyl-6H-1,4-diazepine-2,3-dicarbonitrile
• CAS: 607739-97-9
• 化学式: C₂₆H₁₇N₅
• 分子量: 399.454
• InChiKey: ZIKHDESNGWZRNJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  31
• 可旋转键数：
  2
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  77.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2,3-dicyano-5-(p-bromophenyl)-7-methyl-6H-1,4-diazepine 、 咔唑 在 tris-(dibenzylideneacetone)dipalladium(0) 、 三叔丁基膦 sodium t-butanolate 作用下， 以 甲苯 为溶剂， 以30%的产率得到5-(4-carbazol-9-ylphenyl)-7-methyl-6H-1,4-diazepine-2,3-dicarbonitrile
  参考文献：
  名称：

  MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICES AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE MATERIAL

  摘要：

  一种用于有机电致发光器件的材料，包括一种化合物，其中含有氮的杂环基与芳基咔唑基或咔唑基烷基结合，以及包括至少一层的有机薄膜层的有机电致发光器件，该有机薄膜层位于阳极和阴极之间，并且至少一层在有机薄膜层中包含上述有机电致发光器件的材料。该材料可以提供发出高纯度蓝光的有机电致发光器件。该有机电致发光器件使用该材料。

  公开号：

  US20120319099A1

文献信息

• BISCARBAZOLE DERIVATIVE HOST MATERIALS AND RED EMITTER FOR OLED EMISSIVE REGION
  申请人：Yamamoto Hitoshi

  公开号：US20150194622A1

  公开（公告）日：2015-07-09

  The organic electroluminescence device utilizes a novel combination of a biscarbazole derivative compound as a phospherescent host materials and an orgaphosphorescent material as a red phosphorescent dopant material in the light emitting region of the device, where the biscarbazole derivative compound is represented by a formula (1); wherein the red phosphorescent dopant material is a phosphorescent organometallic complex having a substituted chemical structure represented by one of the partial chemical structures represented by a formulas (D1), (D2) and (D3).

  这个有机电致发光器件利用了一种新颖的组合，即在器件的发光区域中使用一种双咔唑衍生物化合物作为荧光主体材料，以及一种有机磷光材料作为红色磷光掺杂材料。其中，双咔唑衍生物化合物由公式（1）表示；红色磷光掺杂材料是一种磷光有机金属配合物，具有由公式（D1）、（D2）和（D3）中的任一部分化学结构进行替代的化学结构。
• Organic electroluminescence element and electronic device
  申请人：IDEMITSU KOSAN CO., LTD.

  公开号：US10651398B2

  公开（公告）日：2020-05-12

  An organic electroluminescence device includes an anode, a cathode, a first organic layer interposed between the anode and the cathode, a second organic layer interposed between the first organic layer and the cathode, and a bipolar layer interposed between the first organic layer and the second organic layer and having bipolar characteristics, in which at least one of the first organic layer and the second organic layer includes the first compound and the second compound, the first compound exhibits delayed fluorescence, and an energy gap T77K(M2) at 77[K] of the second compound is larger than an energy gap T77K(M1) at 77[K] of the first compound.

  一种有机电致发光器件包括阳极、阴极、设置在阳极和阴极之间的第一有机层、设置在第一有机层和阴极之间的第二有机层以及设置在第一有机层和第二有机层之间并具有双极特性的双极层、其中，第一有机层和第二有机层中的至少一个包括第一化合物和第二化合物，第一化合物显示延迟荧光，第二化合物在 77[K] 时的能隙 T77K(M2) 大于第一化合物在 77[K] 时的能隙 T77K(M1) 。
• Organic Electroluminescent Device
  申请人：Matsuura Masahide

  公开号：US20070257600A1

  公开（公告）日：2007-11-08

  Organic electroluminescent device ( 100 ) having a multilayer structure including at least emitting layer ( 15 ) and electron-transporting layer ( 16 ) between cathodes ( 17 ) and ( 18 ) and anode ( 12 ), the triplet energy gap (Eg T ) of a host material forming emitting layer ( 15 ) being 2.52 eV or more and 3.7 eV or less, an electron-transporting material forming electron-transporting layer ( 16 ) being different from the host material, and having hole-transporting properties, and emitting layer ( 15 ) including a phosphorescent metal complex compound containing a heavy metal.
• BISCARBAZOLE DERIVATIVE, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME
  申请人：INOUE Tetsuya

  公开号：US20110278555A1

  公开（公告）日：2011-11-17

  A biscarbazole derivative of the invention is represented by a formula (1A) or (1B) below. In the formula (1A) or (1B): A 1 represents a substituted or unsubstituted nitrogen-containing heterocyclic group having 1 to 30 ring carbon atoms; A 2 represents a substituted or unsubstituted aromatic hydrocarbon group having 6 to 30 ring carbon atoms, or substituted or unsubstituted nitrogen-containing heterocyclic group having 1 to 30 ring carbon atoms; X 1 and X 2 each are a linking group; Y 1 to Y 4 each represent a substituent; p and q represent an integer of 1 to 4; and r and s represent an integer of 1 to 3.
• Biscarbazole Derivative, Material for Organic Electroluminescence Device and Organic Electroluminescence Device Using The Same
  申请人：INOUE Tetsuya

  公开号：US20110279020A1

  公开（公告）日：2011-11-17

  A biscarbazole derivative of the invention is represented by a formula (1) below. In the formula (1): A 1 represents a substituted or unsubstituted nitrogen-containing heterocyclic group having 1 to 30 ring carbon atoms; A 2 represents a substituted or unsubstituted aromatic hydrocarbon group having 6 to 30 ring carbon atoms, or substituted or unsubstituted nitrogen-containing heterocyclic group having 1 to 30 ring carbon atoms; X 1 and X 2 each are a linking group; Y 1 to Y 4 each represent a substituent; p and q represent an integer of 1 to 4; and r and s represent an integer of 1 to 3.