3-[3-(3-Cyano-5-dibenzothiophen-4-ylphenyl)-5-(3-phenylphenyl)phenyl]-5-dibenzothiophen-4-ylbenzonitrile

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-[3-(3-Cyano-5-dibenzothiophen-4-ylphenyl)-5-(3-phenylphenyl)phenyl]-5-dibenzothiophen-4-ylbenzonitrile
• 英文别名: 3-[3-(3-cyano-5-dibenzothiophen-4-ylphenyl)-5-(3-phenylphenyl)phenyl]-5-dibenzothiophen-4-ylbenzonitrile
• 化学式: C₅₆H₃₂N₂S₂
• 分子量: 797.0
• InChiKey: XMFQSNYGGFWNTC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15.8
• 重原子数：
  60
• 可旋转键数：
  6
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  104
• 氢给体数：
  0
• 氢受体数：
  4

文献信息

• Organic electroluminescent element and novel iridium complex
  申请人：UDC Ireland Limited

  公开号：US10340471B2

  公开（公告）日：2019-07-02

  An iridium complex which has a phenylpyridine bidentate ligand containing a group represented by the following general formula (A): wherein X represents a cyano group or a halogenated alkyl group; L represents a single bond or a divalent linking group; R represents a substituent; n represents an integer of 0 to 4; * represents a binding site to a phenylpyridine bidentate ligand.

  一种铱络合物，该铱络合物具有一个苯基吡啶二叉配体，该配体含有一个由以下通式 (A) 所代表的基团： 其中 X 代表氰基或卤代烷基；L 代表单键或二价连接基团；R 代表取代基；n 代表 0 至 4 的整数；* 代表与苯基吡啶双叉配体的结合位点。
• US20140252333A1
  申请人：——

  公开号：US20140252333A1

  公开（公告）日：2014-09-11
• Organic Electroluminescent Element And Novel Iridium Complex
  申请人：UDC IRELAND LIMITED

  公开号：US20210057666A1

  公开（公告）日：2021-02-25

  An iridium complex which has a phenylpyridine bidentate ligand containing a group represented by the following general formula (A): wherein X represents a cyano group or a halogenated alkyl group; L represents a single bond or a divalent linking group; R represents a substituent; n represents an integer of 0 to 4; * represents a binding site to a phenylpyridine bidentate ligand.