N,N,N-tris[4-(5-tricyanoethenyl-2-thienyl)phenyl]amine

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N,N,N-tris[4-(5-tricyanoethenyl-2-thienyl)phenyl]amine
• 英文别名: 2,2',2''-((Nitrilotris(benzene-4,1-diyl))tris(thiophene-5,2-diyl))tris(ethene-1,1,2-tricarbonitrile)；2-[5-[4-[4-[5-(1,2,2-tricyanoethenyl)thiophen-2-yl]-N-[4-[5-(1,2,2-tricyanoethenyl)thiophen-2-yl]phenyl]anilino]phenyl]thiophen-2-yl]ethene-1,1,2-tricarbonitrile
• 化学式: C₄₅H₁₈N₁₀S₃
• 分子量: 794.903
• InChiKey: JUAZUEDHWQRSAH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8
• 重原子数：
  58
• 可旋转键数：
  9
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  302
• 氢给体数：
  0
• 氢受体数：
  13

反应信息

• 作为产物：
  描述：

  三[4-(5-二氰基亚甲基甲基-2-噻吩基)苯基]胺 、 氰化钠 在 lead(IV) acetate 、 盐酸 、 溶剂黄146 作用下， 以 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 2.25h， 以85%的产率得到N,N,N-tris[4-(5-tricyanoethenyl-2-thienyl)phenyl]amine
  参考文献：
  名称：

  Molecular Engineering of the Internal Charge Transfer in Thiophene−Triphenylamine Hybrid π-Conjugated Systems

  摘要：

  Introduction of electroaccepting groups at the periphery of triphenylamine-based derivatives leads to an internal charge-transfer band. Syntheses and spectroscopic, electrochemical, and theoretical studies of various derivatives which differ by the strength and the number of, electroacceptor groups are presented. These various results show that the ICT band and the acceptor/donor abilities of derivatives can be finely tuned.

  DOI：

  10.1021/jo701390y

文献信息

• Molecular Engineering of the Internal Charge Transfer in Thiophene−Triphenylamine Hybrid π-Conjugated Systems
  作者：Philippe Leriche、Pierre Frère、Antonio Cravino、Olivier Alévêque、Jean Roncali

  DOI：10.1021/jo701390y

  日期：2007.10.1

  Introduction of electroaccepting groups at the periphery of triphenylamine-based derivatives leads to an internal charge-transfer band. Syntheses and spectroscopic, electrochemical, and theoretical studies of various derivatives which differ by the strength and the number of, electroacceptor groups are presented. These various results show that the ICT band and the acceptor/donor abilities of derivatives can be finely tuned.