11,22-Diphenyl-17-(4-pyridin-3-ylphenyl)-16,17,18-triazaheptacyclo[25.2.2.12,6.113,20.07,12.015,19.021,26]tritriaconta-2,4,6(33),7,9,11,13,15,18,20(32),21,23,25,27(31),28-pentadecaene

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二芳基庚烷
• 英文名称: 11,22-Diphenyl-17-(4-pyridin-3-ylphenyl)-16,17,18-triazaheptacyclo[25.2.2.12,6.113,20.07,12.015,19.021,26]tritriaconta-2,4,6(33),7,9,11,13,15,18,20(32),21,23,25,27(31),28-pentadecaene
• 英文别名: 11,22-diphenyl-17-(4-pyridin-3-ylphenyl)-16,17,18-triazaheptacyclo[25.2.2.12,6.113,20.07,12.015,19.021,26]tritriaconta-2,4,6(33),7,9,11,13,15,18,20(32),21,23,25,27(31),28-pentadecaene
• 化学式: C₅₃H₃₆N₄
• 分子量: 728.9
• InChiKey: OWGUEDCCSFNZDV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13
• 重原子数：
  57
• 可旋转键数：
  4
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  43.6
• 氢给体数：
  0
• 氢受体数：
  3

文献信息

• NEW BENZOTRIAZOLE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT IN WHICH SAID DERIVATIVE IS USED
  申请人：Hodogaya Chemical Co., Ltd.

  公开号：EP2767534A1

  公开（公告）日：2014-08-20

  Benzotriazole derivatives represented by the following general formula (1), wherein Ar1 and Ar2 are, for example, aromatic hydrocarbon groups or aromatic heterocyclic ring groups, and A is a group including a pyridine ring. The compounds excel in electron injection/transport capability, feature a high hole-blocking power and a high stability in their thin-film form, and are useful as materials for producing highly efficient and highly durable organic electroluminescent devices.

  由以下通式 (1) 代表的苯并三唑衍生物、 其中 Ar1 和 Ar2 是芳香烃基团或芳香杂环基团，A 是包括吡啶环的基团。这些化合物具有出色的电子注入/传输能力，在薄膜形式下具有高空穴阻断能力和高稳定性，可用作生产高效和高持久性有机电致发光器件的材料。