4-[10-[7-[2-[4-[7,7-bis(2-ethylhexyl)-10-[4-(N-phenylanilino)phenyl]-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-1,3,3a,7a-tetrahydro-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]-4,8-dihexoxythieno[2,3-f][1]benzothiol-6-yl]-1,3,3a,7a-tetrahydro-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]-7,7-bis(2-ethylhexyl)-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-N,N-diphenylaniline

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 4-[10-[7-[2-[4-[7,7-bis(2-ethylhexyl)-10-[4-(N-phenylanilino)phenyl]-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-1,3,3a,7a-tetrahydro-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]-4,8-dihexoxythieno[2,3-f][1]benzothiol-6-yl]-1,3,3a,7a-tetrahydro-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]-7,7-bis(2-ethylhexyl)-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-N,N-diphenylaniline
• 化学式: C₁₁₈H₁₃₈N₈O₂S₈
• 分子量: 1956.9
• InChiKey: DAMFGGWRYBGYPC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  38.3
• 重原子数：
  136
• 可旋转键数：
  48
• 环数：
  19.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  318
• 氢给体数：
  4
• 氢受体数：
  18

文献信息

• ORGANIC SMALL MOLECULE SEMICONDUCTING CHROMOPHORES FOR USE IN ORGANIC ELECTRONIC DEVICES
  申请人：Welch Gregory C.

  公开号：US20140167002A1

  公开（公告）日：2014-06-19

  Small organic molecule semi-conducting chromophores containing a pyridalthiadiazole, pyridaloxadiazole, or pyridaltriazole core structure are disclosed. Such compounds can be used in organic heterojunction devices, such as organic small molecule solar cells and transistors.

  本发明揭示了含有吡啶噻二唑、吡啶氧二唑或吡啶三唑核心结构的小有机分子半导体色团。这些化合物可用于有机异质结器件，例如有机小分子太阳能电池和晶体管。
• Organic small molecule semiconducting chromophores for use in organic electronic devices
  申请人：The Regents of the University of California, a body corporate

  公开号：US10892421B2

  公开（公告）日：2021-01-12

  Small organic molecule semi-conducting chromophores containing a pyridalthiadiazole, pyridaloxadiazole, or pyridaltriazole core structure are disclosed. Such compounds can be used in organic heterojunction devices, such as organic small molecule solar cells and transistors.

  本发明公开了含有吡啶噻二唑、吡啶噁二唑或吡啶三唑核心结构的小分子有机半导电发色团。此类化合物可用于有机异质结器件，如有机小分子太阳能电池和晶体管。