4-(4-(5-methyl-4-(2-(2-methyl-5-phenylthiophen-3-yl)cyclopent-1-enyl)thiophen-2-yl)phenyl)-2,2'-bipyridine | 1176145-59-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 4-(4-(5-methyl-4-(2-(2-methyl-5-phenylthiophen-3-yl)cyclopent-1-enyl)thiophen-2-yl)phenyl)-2,2'-bipyridine
• 英文别名: 4-[4-[5-Methyl-4-[2-(2-methyl-5-phenylthiophen-3-yl)cyclopenten-1-yl]thiophen-2-yl]phenyl]-2-pyridin-2-ylpyridine
• CAS: 1176145-59-7
• 化学式: C₃₇H₃₀N₂S₂
• 分子量: 566.791
• InChiKey: YMHBEZTXOHTAPY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.9
• 重原子数：
  41
• 可旋转键数：
  6
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  82.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  ammonium hexafluorophosphate 、 iron(II) chloride tetrahydrate 、 4-(4-(5-methyl-4-(2-(2-methyl-5-phenylthiophen-3-yl)cyclopent-1-enyl)thiophen-2-yl)phenyl)-2,2'-bipyridine 以 甲醇 为溶剂， 以77%的产率得到[Fe(4-(4-(5-methyl-4-(2-(2-methyl-5-phenylthiophen-3-yl)cyclopent-1-enyl)thiophen-2-yl)phenyl)-2,2'-bipyridine)3](PF6)2*2H2O
  参考文献：
  名称：

  Transition-Metal Tris-Bipyridines Containing Three Dithienylcyclopentenes: Synthesis, Photochromic, and Electrochromic Properties

  摘要：

  Designed prototype molecules for making a three-terminal single-molecule device, star-shaped Fe-II, Co-II, and Ru-II trisbipyridine complexes containing three dithienylcyclopentenes, have been synthesized and characterized. All complexes displayed reversible photochromic behavior when irradiated with UV or visible light. The open form of these complexes could be cyclized electrochemically as revealed by cyclic voltammetric studies and bulk electrolysis experiments.

  DOI：

  10.1021/ic802272q