1,2-bis(3,3'''-didodecyl-2,2':5',2'':5'',2'''-quaterthiophen-5-yl)ethane | 1352147-27-3

• 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: 1,2-bis(3,3'''-didodecyl-2,2':5',2'':5'',2'''-quaterthiophen-5-yl)ethane
• 英文别名: 3-Dodecyl-5-[2-[4-dodecyl-5-[5-[5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]ethyl]-2-[5-[5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene；3-dodecyl-5-[2-[4-dodecyl-5-[5-[5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]ethyl]-2-[5-[5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene
• CAS: 1352147-27-3
• 化学式: C₈₂H₁₁₈S₈
• 分子量: 1360.37
• InChiKey: NYIFKSXEMBASGN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  36.7
• 重原子数：
  90
• 可旋转键数：
  53
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  226
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  5,5′-双(3-十二烷基-2-噻吩基)-2,2′-联噻吩 在 Wilkinson's catalyst 、 氢气 、 四氯化钛 、 锌 、 三氯氧磷 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 60.0 ℃ 、405.33 kPa 条件下， 反应 52.08h， 生成 1,2-bis(3,3'''-didodecyl-2,2':5',2'':5'',2'''-quaterthiophen-5-yl)ethane
  参考文献：
  名称：

  Quaterthiophene-based dimers containing an ethylene bridge: molecular design, synthesis, and optoelectronic properties

  摘要：

  Two quaterthiophene-based dimers including an ethylene bridge have been designed and efficiently prepared; experimental and computational studies show a promising potential as semiconducting material with a charge transport of higher dimensionality compared to quaterthiophene. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2011.10.020

文献信息

• Quaterthiophene-based dimers containing an ethylene bridge: molecular design, synthesis, and optoelectronic properties
  作者：Maud Jenart、Claude Niebel、Jean-Yves Balandier、Julie Leroy、Alix Mignolet、Sara Stas、Antoine Van Vooren、Jérôme Cornil、Yves Henri Geerts

  DOI：10.1016/j.tet.2011.10.020

  日期：2012.1

  Two quaterthiophene-based dimers including an ethylene bridge have been designed and efficiently prepared; experimental and computational studies show a promising potential as semiconducting material with a charge transport of higher dimensionality compared to quaterthiophene. (C) 2011 Elsevier Ltd. All rights reserved.