2,5-bis(3-bromo-1-benzothiophen-2-yl)-3,6-dibromothieno[3,2-b]thiophene | 1215897-30-5

• 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: 2,5-bis(3-bromo-1-benzothiophen-2-yl)-3,6-dibromothieno[3,2-b]thiophene
• 英文别名: 3-Bromo-2-[3,6-dibromo-5-(3-bromo-1-benzothiophen-2-yl)thieno[3,2-b]thiophen-2-yl]-1-benzothiophene
• CAS: 1215897-30-5
• 化学式: C₂₂H₈Br₄S₄
• 分子量: 720.186
• InChiKey: HJWZRZHAWLCQKL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.9
• 重原子数：
  30
• 可旋转键数：
  2
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  113
• 氢给体数：
  0
• 氢受体数：
  4

文献信息

• NOVEL COMPOUND AND ORGANIC SEMICONDUCTOR MATERIAL
  申请人：Miyata Yasuo

  公开号：US20110166362A1

  公开（公告）日：2011-07-07

  Discloses is a compound represented by the formula (1): wherein a ring structure A and a ring structure B independently represent an aromatic ring which may be substituted, or a heterocyclic ring which may be substituted; a ring structure C represents a benzene ring which may be substituted, a hetero[3,2-b]heterole ring, or a benzo[1,2-b:4,5-b′]diheterole ring which may be substituted; W, X, Y and Z independently represent a sulfur atom, an oxygen atom, a selenium atom, a tellurium atom, SO 2 , (R 1 )—C—(R 2 ), (R 2 )—Si—(R 4 ), or N—(R 5 ), and at least one of W, X, Y and Z is N—(R 5 ); R 1 , R 2 , R 3 , R 4 and R 5 independently represent a hydrogen atom, a substituent i, a substituent ii, an aryl group which may be substituted with halogen, or a heteroaryl group which may be substituted with halogen, the substituent i is a group selected from Group P shown below, the substituent ii is a group selected from Group P shown below which group is substituted, and Group P consists of an alkyl group, an alkoxy group, an alkyl-substituted aryl group, an alkoxy-substituted aryl group, and an alkyl-substituted heteroaryl group.

  Discloses是一种由公式（1）表示的化合物： 其中，环结构A和环结构B分别表示可以被取代的芳香环或杂环；环结构C表示可以被取代的苯环、杂[3,2-b]杂环或可以被取代的苯并[1,2-b:4,5-b′]二杂环；W，X，Y和Z分别表示硫原子、氧原子、硒原子、碲原子、SO2、(R1)-C-(R2)、(R2)-Si-(R4)或N-(R5)，并且W，X，Y和Z中至少有一个是N-(R5)；R1，R2，R3，R4和R5分别表示氢原子、取代基i、取代基ii、可以被卤素取代的芳基或可以被卤素取代的杂芳基，其中取代基i是从下面所示的P组中选择的一组取代基，取代基ii是从下面所示的P组中选择的一组取代基，该组取代基被取代，P组包括烷基、烷氧基、烷基取代的芳基、烷氧基取代的芳基和烷基取代的杂芳基。