3,7-dioctylbenzo[1,2-b:4,5-b']dithiophene | 1182245-79-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻吩类
• 英文名称: 3,7-dioctylbenzo[1,2-b:4,5-b']dithiophene
• 英文别名: 3,7-Dioctylthieno[2,3-f][1]benzothiole
• CAS: 1182245-79-9
• 化学式: C₂₆H₃₈S₂
• 分子量: 414.72
• InChiKey: MPQOOKNLEFSDLQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.1
• 重原子数：
  28
• 可旋转键数：
  14
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  56.5
• 氢给体数：
  0
• 氢受体数：
  2

文献信息

• CONDENSED POLYCYCLIC COMPOUND, CONDENSED POLYCYCLIC POLYMER AND ORGANIC THIN FILM CONTAINING THE COMPOUND OR THE POLYMER
  申请人：Miura Masahiro

  公开号：US20110040069A1

  公开（公告）日：2011-02-17

  An object of the present invention is to provide a polycyclic fused ring polymer which has a structure capable of showing high charge transport properties and also is excellent in solubility into a solvent. The polycyclic fused ring polymer according to the present invention includes: a plurality of one of a first structural unit represented by the following formula ( 1 ) and a second structural unit represented by the following formula ( 2 ); or the first structural unit and the second structural unit in combination: wherein X 1 and X 2 represent an oxygen atom, a sulfur atom or a selenium atom, and R 1 and R 2 represent a halogen atom, an unsaturated alkyl group, an alkyl group, a non-alkyl group containing an alkyl group, an aryl group, or a monovalent heterocyclic group; R 3 and R 4 represent a monovalent group, and when a plurality of R 3 and R 4 exist, these may be the same or different; and m, n, s and t are an integer of 0 to 2.

  本发明的目的是提供一种多环融合环聚合物，其具有能够展现高电荷传输性能的结构，并且在溶剂中溶解性优异。本发明提供的多环融合环聚合物包括：多个第一结构单元和/或第二结构单元，第一结构单元由以下式子（1）所表示，第二结构单元由以下式子（2）所表示，或者第一结构单元和第二结构单元的组合：其中，X1和X2表示氧原子、硫原子或硒原子，R1和R2表示卤素原子、不饱和烷基、烷基、含有烷基的非烷基基团、芳基或单价杂环基团；R3和R4表示单价基团，当存在多个R3和R4时，它们可以相同或不同；m、n、s和t是0到2的整数。