1-[(4-Bromo-2-fluorophenyl)methyl]-1,3-dimethyl-2-[3-[1-(3-methylbutyl)-3,3-bis(prop-2-enyl)indol-2-ylidene]prop-1-enyl]benzo[e]indol-3-ium

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 1-[(4-Bromo-2-fluorophenyl)methyl]-1,3-dimethyl-2-[3-[1-(3-methylbutyl)-3,3-bis(prop-2-enyl)indol-2-ylidene]prop-1-enyl]benzo[e]indol-3-ium
• 英文别名: 1-[(4-bromo-2-fluorophenyl)methyl]-1,3-dimethyl-2-[3-[1-(3-methylbutyl)-3,3-bis(prop-2-enyl)indol-2-ylidene]prop-1-enyl]benzo[e]indol-3-ium
• 化学式: C43H45BrFN2+
• 分子量: 688.7
• InChiKey: DIBKOUGFEMELHB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.9
• 重原子数：
  47
• 可旋转键数：
  11
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  6.2
• 氢给体数：
  0
• 氢受体数：
  2

文献信息

• OPTICAL RECORDING MATERIAL AND OPTICAL RECORDING MEDIA
  申请人：Shinkai Masahiro

  公开号：US20090149660A1

  公开（公告）日：2009-06-11

  An optical recording medium provided with a recording layer that comprises a cation represented by the following general formula (1) and a chelate compound of an azo compound represented by the following general formula (2) and a metal. In the formulas, R 1 -R 4 each independently represent a monovalent group represented by Chemical Formula (10) below or other groups, R 5 and R 6 each independently represent an optionally substituted alkyl group or other groups, R 7 represents a hydrogen atom or other groups, Q 1 and Q 2 each independently represent a group that forms an optionally substituted benzene ring or other groups, at least one from among R 1 -R 4 is a monovalent group represented by Chemical Formula ( 10 ) below, [Chemical Formula 2] [CH 2 ═CH—CH 2   (10) and at least one of Ar 1 and Ar 2 is an aryl or other group having a substituent capable of coordinating with a metal atom.