2-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[[7-(4-aminobutyl)-9,9-dimethylfluoren-2-yl]-(9,9-dimethyl-7-pentylfluoren-3-yl)amino]phenyl]ethenyl]-3-(3-methylbutoxy)phenyl]ethenyl]-3-(2-methylpropoxy)phenyl]ethenyl]-3-(2-methylpropoxy)phenyl]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-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[[7-(4-aminobutyl)-9,9-dimethylfluoren-2-yl]-(9,9-dimethyl-7-pentylfluoren-3-yl)amino]phenyl]ethenyl]-3-(3-methylbutoxy)phenyl]ethenyl]-3-(2-methylpropoxy)phenyl]ethenyl]-3-(2-methylpropoxy)phenyl]ethenyl]-3,3-dimethylindole-5-carboxylic acid
• 化学式: C₉₅H₁₀₅N₃O₅
• 分子量: 1368.9
• InChiKey: UBMQMMHHJSTEGA-ZOJUHORASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  23.4
• 重原子数：
  103
• 可旋转键数：
  30
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  107
• 氢给体数：
  2
• 氢受体数：
  8

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).