2-[5-[3,4-Dibutyl-5-[5-(1,2,2-tricyanoethenyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]ethene-1,1,2-tricarbonitrile

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 双噻吩和低聚噻吩
• 英文名称: 2-[5-[3,4-Dibutyl-5-[5-(1,2,2-tricyanoethenyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]ethene-1,1,2-tricarbonitrile
• 化学式: C₃₀H₂₂N₆S₃
• 分子量: 562.743
• InChiKey: MNHSLUSEVOZDDC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.4
• 重原子数：
  39
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  228
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  2,5-dibromo-3,4-dibutylthiophene 在 正丁基锂 、 magnesium 作用下， 以 四氢呋喃 、 乙醚 为溶剂， 反应 185.33h， 生成 2-[5-[3,4-Dibutyl-5-[5-(1,2,2-tricyanoethenyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]ethene-1,1,2-tricarbonitrile
  参考文献：
  名称：

  Synthesis and Characterization of Tricyanovinyl-Capped Oligothiophenes as Low-Band-Gap Organic Materials

  摘要：

  [GRAPHICS]Tricyanovinyl-capped oligothlophenes of up to six rings have been synthesized and characterized. The substituted oligomers display dramatic reductions in both their optical and electrochemical band gaps in comparison to unsubstituted oligomers. The solvatochromic behavior of the terthiophene-substituted molecule was investigated in a variety of solvents. Stable oxidations and reductions were exhibited by the sexithiophene-substituted molecule on the CV time scale.

  DOI：

  10.1021/ol034317q

文献信息

• Synthesis and Characterization of Tricyanovinyl-Capped Oligothiophenes as Low-Band-Gap Organic Materials
  作者：Ted M. Pappenfus、Michael W. Burand、Daron E. Janzen、Kent R. Mann

  DOI：10.1021/ol034317q

  日期：2003.5.1

  [GRAPHICS]Tricyanovinyl-capped oligothlophenes of up to six rings have been synthesized and characterized. The substituted oligomers display dramatic reductions in both their optical and electrochemical band gaps in comparison to unsubstituted oligomers. The solvatochromic behavior of the terthiophene-substituted molecule was investigated in a variety of solvents. Stable oxidations and reductions were exhibited by the sexithiophene-substituted molecule on the CV time scale.