4-(7,7-Dimethyl-10-phenyl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-7-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-2,1,3-benzothiadiazole

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻二唑类
• 英文名称: 4-(7,7-Dimethyl-10-phenyl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-7-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-2,1,3-benzothiadiazole
• 英文别名: 4-(7,7-dimethyl-10-phenyl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-7-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-2,1,3-benzothiadiazole
• 化学式: C₃₀H₂₈N₂O₂S₃
• 分子量: 544.8
• InChiKey: QVZZLQBDJZXXTM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.7
• 重原子数：
  37
• 可旋转键数：
  3
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  129
• 氢给体数：
  0
• 氢受体数：
  7

文献信息

• PI-ELECTRON CONJUGATED BLOCK COPOLYMER AND PHOTOELECTRIC CONVERSION ELEMENT
  申请人：Inagaki Takuya

  公开号：US20140084220A1

  公开（公告）日：2014-03-27

  Provided is a conjugated block copolymer that is capable of morphology control and that can achieve superior conversion efficiency. A π-electron conjugated block copolymer contiguously or non-contiguously bonding polymer block (A) involving a monomer unit having in a portion of a chemical structure at least one heteroaryl skeleton selected from a thiophene, a fluorine, a carbazole, a dibenzosilole and a dibenzogermole; and a polymer block (B) involving a monomer unit similarly having at least one heteroaryl skeleton; wherein the polymer block (A) comprises a homopolymer block of a monomer unit having a substituent R nA that is an alkoxy group or an alkyl group having 1-18 carbon atoms, and the polymer block (B) comprises a copolymer block of at least two different each other types of monomer units having substituent R nB selected from an alkoxy group or an alkyl group having 1-18 carbon atoms, which may be substituted with an alkoxy group, a halogen atom, a hydroxyl group, an amino group, a thiole group, a silyl group, an ester group, an aryl group, hetero aryl group.

  提供的是一种共轭嵌段共聚物，能够控制形态并实现更高的转化效率。该共轭嵌段共聚物由连续或非连续键合的聚合物块（A）和聚合物块（B）组成，聚合物块（A）包括至少在化学结构的一部分中具有来自噻吩、氟、咔唑、二苯基硅烷和二苯基锗烷中至少一个杂环骨架的单体单元，其中聚合物块（A）包括单体单元的同源聚合物块，该单体单元具有取代基RnA，该取代基为具有1-18个碳原子的烷氧基或烷基，并且聚合物块（B）包括至少两种不同类型的单体单元的共聚物块，该单体单元具有取代基RnB，该取代基为具有1-18个碳原子的烷氧基或烷基，可以用烷氧基、卤素原子、羟基、氨基、硫醇基、硅基、酯基、芳基、杂芳基进行取代。