N-(2,3,4,5,6-pentafluorophenyl)-4,10-bis(trimethylstannyl)-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-7-imine | 1416261-35-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩类
• 英文名称: N-(2,3,4,5,6-pentafluorophenyl)-4,10-bis(trimethylstannyl)-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-7-imine
• CAS: 1416261-35-2
• 化学式: C₂₁H₂₀F₅NS₂Sn₂
• 分子量: 682.941
• InChiKey: IFEFCZNVKHDZBH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.75
• 重原子数：
  31
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  68.8
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  4H-环戊并[2,1-B:3,4-B']二噻吩-4-酮 在 N-溴代丁二酰亚胺(NBS) 、 四(三苯基膦)钯 、 四氯化钛 、 三乙胺 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 生成 N-(2,3,4,5,6-pentafluorophenyl)-4,10-bis(trimethylstannyl)-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-7-imine
  参考文献：
  名称：

  Bridgehead Imine Substituted Cyclopentadithiophene Derivatives: An Effective Strategy for Band Gap Control in Donor–Acceptor Polymers

  摘要：

  Bridgehead imine substituted cyclopentadithiophene structural units offer the opportunity to modify the electronic properties, in particular, the HOMO-LUMO energy levels of donor-acceptor polymers with unprecedented precision. Utilizing a common synthetic pathway, copolymers with high average molecular weights, a variety of functionality, and properties suitable for solar cell incorporation can be generated. The fabrication of organic photovoltaic devices with these new materials is demonstrated.

  DOI：

  10.1021/ma302569u

文献信息

• Bridgehead Imine Substituted Cyclopentadithiophene Derivatives: An Effective Strategy for Band Gap Control in Donor–Acceptor Polymers
  作者：Jason D. Azoulay、Zachary A. Koretz、Bryan M. Wong、Guillermo C. Bazan

  DOI：10.1021/ma302569u

  日期：2013.2.26

  Bridgehead imine substituted cyclopentadithiophene structural units offer the opportunity to modify the electronic properties, in particular, the HOMO-LUMO energy levels of donor-acceptor polymers with unprecedented precision. Utilizing a common synthetic pathway, copolymers with high average molecular weights, a variety of functionality, and properties suitable for solar cell incorporation can be generated. The fabrication of organic photovoltaic devices with these new materials is demonstrated.