2-{5'-[2-(E)-(4-diphenylaminophenyl)-1-ethenyl]-2,2'-bithien-5-yl}-1,1,2-ethylenetricarbonitrile

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 2-{5'-[2-(E)-(4-diphenylaminophenyl)-1-ethenyl]-2,2'-bithien-5-yl}-1,1,2-ethylenetricarbonitrile
• 英文别名: 2-[5-[5-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]thiophen-2-yl]thiophen-2-yl]ethene-1,1,2-tricarbonitrile
• 化学式: C₃₃H₂₀N₄S₂
• 分子量: 536.681
• InChiKey: SBJIZJSLDTVLEY-DTQAZKPQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.1
• 重原子数：
  39
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  131
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2,2'-联二噻吩 在 正丁基锂 、 15-冠醚-5 、 sodium hydride 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 22.5h， 生成 2-{5'-[2-(E)-(4-diphenylaminophenyl)-1-ethenyl]-2,2'-bithien-5-yl}-1,1,2-ethylenetricarbonitrile
  参考文献：
  名称：

  Donor−Acceptor-Substituted Phenylethenyl Bithiophenes:  Highly Efficient and Stable Nonlinear Optical Chromophores

  摘要：

  [GRAPHICS]For practical applications of poled electrooptic polymers, highly efficient and thermally stable nonlinear optical (NLO) chromophores are required. We describe here a concise synthesis and characterization of a series of donor-acceptor chromophores incorporating a bithiophene moiety in the conjugated bridge. They display a suitable thermal stability and significantly enhanced molecular nonlinearity as compared to their monothiophene analogues and are among the most efficient yet stable NLO chromophores prepared so far.

  DOI：

  10.1021/ol991118r

文献信息

• Donor−Acceptor-Substituted Phenylethenyl Bithiophenes:  Highly Efficient and Stable Nonlinear Optical Chromophores
  作者：Chengzhi Cai、Ilias Liakatas、Man-Shing Wong、Martin Bösch、Christian Bosshard、Peter Günter、Simona Concilio、Nicola Tirelli、Ulrich W. Suter

  DOI：10.1021/ol991118r

  日期：1999.12.1

  [GRAPHICS]For practical applications of poled electrooptic polymers, highly efficient and thermally stable nonlinear optical (NLO) chromophores are required. We describe here a concise synthesis and characterization of a series of donor-acceptor chromophores incorporating a bithiophene moiety in the conjugated bridge. They display a suitable thermal stability and significantly enhanced molecular nonlinearity as compared to their monothiophene analogues and are among the most efficient yet stable NLO chromophores prepared so far.