1-(2-methyl-5-(2-fluoro-4'-undecyloxybiphenyl-4-yl)-3-thienyl)-2-(3-methyl-5-(2-fluoro-4'-undecyloxybiphenyl-4-yl)-2-thienyl)hexafluorocyclopentene | 817180-75-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 1-(2-methyl-5-(2-fluoro-4'-undecyloxybiphenyl-4-yl)-3-thienyl)-2-(3-methyl-5-(2-fluoro-4'-undecyloxybiphenyl-4-yl)-2-thienyl)hexafluorocyclopentene
• 英文别名: 5-[3-Fluoro-4-(4-undecoxyphenyl)phenyl]-2-[3,3,4,4,5,5-hexafluoro-2-[5-[3-fluoro-4-(4-undecoxyphenyl)phenyl]-2-methylthiophen-3-yl]cyclopenten-1-yl]-3-methylthiophene
• CAS: 817180-75-9
• 化学式: C₆₁H₆₈F₈O₂S₂
• 分子量: 1049.33
• InChiKey: FSOILZUYCWMZRB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  21.7
• 重原子数：
  73
• 可旋转键数：
  28
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  74.9
• 氢给体数：
  0
• 氢受体数：
  12

反应信息

• 作为反应物：
  描述：

  1-(2-methyl-5-(2-fluoro-4'-undecyloxybiphenyl-4-yl)-3-thienyl)-2-(3-methyl-5-(2-fluoro-4'-undecyloxybiphenyl-4-yl)-2-thienyl)hexafluorocyclopentene 以 环己烷 为溶剂， 生成 (3aR,3bR)-7,7,8,8,9,9-Hexafluoro-2,5-bis-(2-fluoro-4'-undecyloxy-biphenyl-4-yl)-3a,3b-dimethyl-3a,7,8,9-tetrahydro-3bH-1,4-dithia-trindene
  参考文献：
  名称：

  Design of Mesomorphic Diarylethene-Based Photochromes

  摘要：

  The effects of the molecular variation of diarylethenes on the mesomorphic, photochromic, and fluorescence properties have been investigated, and dramatic changes in the fluorescence, photochromic, and liquid crystal behavior were observed.

  DOI：

  10.1021/ja0468269
• 作为产物：
  描述：

  (3aR,3bR)-7,7,8,8,9,9-Hexafluoro-2,5-bis-(2-fluoro-4'-undecyloxy-biphenyl-4-yl)-3a,3b-dimethyl-3a,7,8,9-tetrahydro-3bH-1,4-dithia-trindene 以 环己烷 为溶剂， 生成 1-(2-methyl-5-(2-fluoro-4'-undecyloxybiphenyl-4-yl)-3-thienyl)-2-(3-methyl-5-(2-fluoro-4'-undecyloxybiphenyl-4-yl)-2-thienyl)hexafluorocyclopentene
  参考文献：
  名称：

  Design of Mesomorphic Diarylethene-Based Photochromes

  摘要：

  The effects of the molecular variation of diarylethenes on the mesomorphic, photochromic, and fluorescence properties have been investigated, and dramatic changes in the fluorescence, photochromic, and liquid crystal behavior were observed.

  DOI：

  10.1021/ja0468269