2-[(E)-2-[7,7-diphenyl-10-[4-(N-phenylanilino)phenyl]-3,7lambda4,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]ethenyl]-3,3-dimethylindole-5-carboxylic acid

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 2-[(E)-2-[7,7-diphenyl-10-[4-(N-phenylanilino)phenyl]-3,7lambda4,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]ethenyl]-3,3-dimethylindole-5-carboxylic acid
• 英文别名: 2-[(E)-2-[7,7-diphenyl-10-[4-(N-phenylanilino)phenyl]-3,7λ4,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]ethenyl]-3,3-dimethylindole-5-carboxylic acid
• 化学式: C₅₁H₃₈N₂O₂S₃
• 分子量: 807.1
• InChiKey: TWUBLNXFTQOLON-SJCQXOIGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.2
• 重原子数：
  58
• 可旋转键数：
  9
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  110
• 氢给体数：
  1
• 氢受体数：
  7

文献信息

• ASYMMETRIC CYANINE DYES FOR PHOTOVOLTAIC APPLICATIONS
  申请人：Caputo Giuseppe

  公开号：US20140246094A1

  公开（公告）日：2014-09-04

  Asymmetric dyes of the D-π-A type have the Formula (1), including the valence tautomers thereof. The dyes of Formula (1) are suitable for use in dye-sensitized solar cells (DSSC), in photoelectrochemical devices or in photonic devices. A solar cell and a device for photoelectric conversion contain an asymmetric dye of Formula (1). The dyes of Formula (1) are also suitable for conjugating with optically active nanoparticles (NP).