4,5,4',5"-tetra(5-methylthienyl)bisthiophene | 1231767-30-8

• 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: 4,5,4',5"-tetra(5-methylthienyl)bisthiophene
• 英文别名: 5,5'"-dimethyl-3',4"-di-(5"",5'""-methyl-2"",2'""-thienyl)-2,2':5',2":5",2'"-quaterthiophene；5-[4,5-Bis(5-methylthiophen-2-yl)thiophen-2-yl]-2,3-bis(5-methylthiophen-2-yl)thiophene；5-[4,5-bis(5-methylthiophen-2-yl)thiophen-2-yl]-2,3-bis(5-methylthiophen-2-yl)thiophene
• CAS: 1231767-30-8
• 化学式: C₂₈H₂₂S₆
• 分子量: 550.879
• InChiKey: CCPWXKFGYYBGMG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10
• 重原子数：
  34
• 可旋转键数：
  5
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  169
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2-溴-5-甲基噻吩 在 四(三苯基膦)钯 、 正丁基锂 、 magnesium 、 三乙胺 作用下， 以 四氢呋喃 、 乙醚 为溶剂， 反应 24.0h， 生成 4,5,4',5"-tetra(5-methylthienyl)bisthiophene
  参考文献：
  名称：

  Emission behavior of a symmetrical sexthiophene

  摘要：

  Detailed absorption and emission behavior were investigated for a sexthiophene molecule in solution, film, and solid. Only strong polarity solvent could result a notable influence on the quench of its fluorescence. In weak and medium polar environment, including in polymer matrix, highly emissive behavior was maintained and exhibit large Stokes shift. More important is its highly emissive in solid state due to the twisted molecular conformation. However, the bandwidth of solid emission (FWHM: 2149 cm(-1)) is similar to that of solution emission. The calculated frontier orbital based on TDDFT theory uncovered the underlying signal mechanism furtherly.

  DOI：

  10.1080/15421406.2016.1277497

文献信息

• Tetrathiophenes with thiophene side chains: effect of substitution on packing and conjugation
  作者：Geeta Saini、Nigel T. Lucas、Josemon Jacob

  DOI：10.1016/j.tetlet.2010.03.087

  日期：2010.6

  The effect of substitution pattern on conjugation and packing has been investigated by synthesizing a series of tetrathiophenes with systematically varied alkyl thiophene substituents. (C) 2010 Elsevier Ltd. All rights reserved.