2-[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-3-[5-[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]thiophen-2-yl]buta-1,3-diene-1,1,4,4-tetracarbonitrile | 1309674-29-0

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 2-[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-3-[5-[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]thiophen-2-yl]buta-1,3-diene-1,1,4,4-tetracarbonitrile
• CAS: 1309674-29-0
• 化学式: C₅₆H₃₄N₆S₃
• 分子量: 887.124
• InChiKey: PCWQKOAJYPWFLD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  14.8
• 重原子数：
  65
• 可旋转键数：
  12
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  186
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  4-(5′-bromo-2,2′-bithiophen-5-yl)-N,N-diphenylaniline 在 甲醇 、 copper(l) iodide 、 四(三苯基膦)钯 、 potassium carbonate 、 二异丙胺 作用下， 以 四氢呋喃 、 二氯甲烷 、 甲苯 为溶剂， 反应 17.0h， 生成 2-[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-3-[5-[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]thiophen-2-yl]buta-1,3-diene-1,1,4,4-tetracarbonitrile
  参考文献：
  名称：

  Triphenylamine/Tetracyanobutadiene-Based D-A-D π-Conjugated Systems as Molecular Donors for Organic Solar Cells

  摘要：

  Thlophene-based D-A-D pi-conjugated systems containing triphenylamine end groups connected to a 1,1,4,4-tetracyanobuta-1,3-diene acceptor by oligothiophene chains of variable length have been synthesized. These compounds show Interesting light-harvesting properties and low-lying HOMO levels. Preliminary results on bilayer heterojunction solar cells with C-60 as acceptor show power conversion efficiency higher than 1.0%.

  DOI：

  10.1021/ol201002j

文献信息

• Triphenylamine/Tetracyanobutadiene-Based D-A-D π-Conjugated Systems as Molecular Donors for Organic Solar Cells
  作者：Antoine Leliège、Philippe Blanchard、Théodulf Rousseau、Jean Roncali

  DOI：10.1021/ol201002j

  日期：2011.6.17

  Thlophene-based D-A-D pi-conjugated systems containing triphenylamine end groups connected to a 1,1,4,4-tetracyanobuta-1,3-diene acceptor by oligothiophene chains of variable length have been synthesized. These compounds show Interesting light-harvesting properties and low-lying HOMO levels. Preliminary results on bilayer heterojunction solar cells with C-60 as acceptor show power conversion efficiency higher than 1.0%.