2-(2-Bromopropan-2-yl)-3-methylthiophene

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 杂芳族化合物
• 英文名称: 2-(2-Bromopropan-2-yl)-3-methylthiophene
• 英文别名: 2-(2-bromopropan-2-yl)-3-methylthiophene
• 化学式: C₈H₁₁BrS
• 分子量: 219.14
• InChiKey: JLXYSNAXNPSEOZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  28.2
• 氢给体数：
  0
• 氢受体数：
  1

文献信息

• Hexabenzocoronene-based compound for organic photovoltaic cells
  申请人：Centre National De La Recherche Scientifique

  公开号：US10454034B2

  公开（公告）日：2019-10-22

  Provided is a hexabenzocoronene-based compound and a donor: acceptor layer having this compound. Also provided are processes for manufacturing this compound and to a photovoltaic cell having at least one hexabenzocoronene-based compound. The hexabenzocoronene-based compound has following formula I: wherein R1, R3, R4 and R6 are independently from each other chosen among a carboxylic (—COOH) group, a cyano (—C≡N) group, an isocyano (—N+≡C−) group, a cyanate (—O—C≡N) group and a —F group, and R2 and R5 are, independently from each other, chosen among a poly(3-oxypentylthiophene) (P3OPT) substituent and a poly(3-hexylthiophene) (P3HT) substituent.

  本文提供了一种六苯并硼烯基化合物和具有该化合物的供体：受体层。此外，还提供了制造这种化合物的工艺和具有至少一种六苯并硼烯基化合物的光伏电池。六苯甲硼烯基化合物具有下式 I： 其中 R1、R3、R4 和 R6 相互独立地选自羧基 (-COOH)、氰基 (-C≡N)、异氰基 (-N+≡C-)氰酸酯（-O-C≡N）基团和-F 基团，且 R2 和 R5 相互独立地从聚(3-氧戊基噻吩) (P3OPT) 取代基和聚(3-己基噻吩) (P3HT) 取代基中选择。
• HEXABENZOCORONENE-BASED COMPOUND FOR ORGANIC PHOTOVOLTAIC CELLS
  申请人：Centre National De La Recherche Scientifique

  公开号：US20180047906A1

  公开（公告）日：2018-02-15

  Provided is a hexabenzocoronene-based compound and a donor: acceptor layer having this compound. Also provided are processes for manufacturing this compound and to a photovoltaic cell having at least one hexabenzocoronene-based compound. The hexabenzocoronene-based compound has following formula I: wherein R 1 , R 3 , R 4 and R 6 are independently from each other chosen among a carboxylic (—COOH) group, a cyano (—C≡N) group, an isocyano (—N + ≡C − ) group, a cyanate (—O—C≡N) group and a —F group, and R 2 and R 5 are, independently from each other, chosen among a poly(3-oxypentylthiophene) (P3OPT) substituent and a poly(3-hexylthiophene) (P3HT) substituent.