N-[4-[(E)-2-[5-[5,6-difluoro-2-icosyl-7-(5-methylthiophen-2-yl)benzotriazol-4-yl]thiophen-2-yl]ethenyl]phenyl]-N-(4-methoxyphenyl)-4-[(E)-prop-1-enyl]aniline

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N-[4-[(E)-2-[5-[5,6-difluoro-2-icosyl-7-(5-methylthiophen-2-yl)benzotriazol-4-yl]thiophen-2-yl]ethenyl]phenyl]-N-(4-methoxyphenyl)-4-[(E)-prop-1-enyl]aniline
• 化学式: C₅₉H₇₀F₂N₄OS₂
• 分子量: 953.3
• InChiKey: QVEANVJHPLYUME-HLUPLUBASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  21.3
• 重原子数：
  68
• 可旋转键数：
  28
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  99.7
• 氢给体数：
  0
• 氢受体数：
  8

文献信息

• AMINE-CONTAINING DIFLUORO BENZOTRIAZOLYL POLYMER, PREPARATION METHOD AND USE THEREOF
  申请人：Zhou Mingjie

  公开号：US20140128558A1

  公开（公告）日：2014-05-08

  The present disclosure relates to the field of solar cells. An amine-containing difluoro benzotriazolyl polymer, preparation method, and use thereof are provided; the polymer has a structure as represented by formula (I), both R 1 and R 2 are alkyls from C 1 to C 20 , n is an integer from 10 to 50. In the polymer of the present disclosure, because the 1, 2, 3-benzotriazole solar cell material contains two fluorine atoms, the HOMO energy level is reduced by 0.11 eV, the fluorine-substituted 1, 2, 3-benzotriazole has two imido groups with strong electron-withdrawing property; the 1, 2, 3-benzotriazole is a heterocyclic compound with strong electron-withdrawing property, and an alkyl chain can be easily introduced to the N-position of the N—H bond of the benzotriazole; the functional group of the alkyl chain can improve solar energy conversion efficiency, thus solving the low efficiency problem of the solar cell made from the solar cell material.
• US8871897B2
  申请人：——

  公开号：US8871897B2

  公开（公告）日：2014-10-28