5,6-Difluoro-2-icosyl-4-(5-methylthiophen-2-yl)-7-[5-(7,9,9-trimethylfluoren-2-yl)thiophen-2-yl]benzotriazole

• 分子结构分类: 有机化合物 - 苯类化合物 - 芴
• 英文名称: 5,6-Difluoro-2-icosyl-4-(5-methylthiophen-2-yl)-7-[5-(7,9,9-trimethylfluoren-2-yl)thiophen-2-yl]benzotriazole
• 英文别名: 5,6-difluoro-2-icosyl-4-(5-methylthiophen-2-yl)-7-[5-(7,9,9-trimethylfluoren-2-yl)thiophen-2-yl]benzotriazole
• 化学式: C₅₁H₆₃F₂N₃S₂
• 分子量: 820.2
• InChiKey: QVUVOOVHXJMKSV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  19.3
• 重原子数：
  58
• 可旋转键数：
  22
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.49
• 拓扑面积：
  87.2
• 氢给体数：
  0
• 氢受体数：
  6

文献信息

• FLUORENE-CONTAINING DIFLUORO BENZOTRIAZOLYL COPOLYMER AND PREPARATION METHOD AND USE THEREOF
  申请人：Zhou Mingjie

  公开号：US20140163166A1

  公开（公告）日：2014-06-12

  The present invention relates to solar cells. Disclosed are a fluorene-containing difluoro benzotriazolyl copolymer and preparation method and use thereof; the copolymer has a structure as represented by formula (I), wherein both R 1 and R 2 are alkyls from C 1 to C 20 , and n is an integer from 10 to 100. In the fluorene-containing difluoro benzotriazolyl copolymer of the present invention, because the 1,2,3-benzotriazole copolymer contains two fluorine atoms, the HOMO energy level will be reduced by 0.11 eV while the fluorine-substituted 1,2,3-benzotriazole has two imido groups with strong electron-withdrawing property; the difluoro 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 polymer solar cells.