3-[3,3,4,4,5,5-Hexafluoro-2-[2-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]thiophen-3-yl]cyclopenten-1-yl]-5-(4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]thiophene

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二芳基庚烷
• 英文名称: 3-[3,3,4,4,5,5-Hexafluoro-2-[2-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]thiophen-3-yl]cyclopenten-1-yl]-5-(4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]thiophene
• 英文别名: 3-[3,3,4,4,5,5-hexafluoro-2-[2-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]thiophen-3-yl]cyclopenten-1-yl]-5-(4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]thiophene
• 化学式: C₄₁H₂₄F₁₂S₂
• 分子量: 808.7
• InChiKey: BJGGKLSUUHFLAV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.3
• 重原子数：
  55
• 可旋转键数：
  6
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  56.5
• 氢给体数：
  0
• 氢受体数：
  14

文献信息

• DIARYLETHENE COMPOUNDS AND USES THEREOF
  申请人：SWITCH MATERIALS, INC.

  公开号：US20160083398A1

  公开（公告）日：2016-03-24

  A compound according to Formula IA and IB, reversibly convertible under photochromic and electrochromic conditions between a ring-open isomer A and a ring-closed isomer B is provided. For substitutent groups, Z is N, O or S; each R 1 is independently selected from the group consisting of H, or halo; each R 2 is independently selected from the group consisting of H, halo, a polymer backbone, alkyl or aryl; or, when both R 2 together form —CH═CH— and form part of a polymer backbone; each R 3 is independently selected from the group consisting of H, halo, alkyl, alkoxy, thioalkyl or aryl; each R 4 is aryl; and each R 5 is independently selected from the group consisting of H, halo, alkyl, alkoxy, thioalkyl or aryl.

  本发明提供了一种按照式IA和IB的化合物，在光致变色和电致变色条件下，可在环开放异构体A和环闭合异构体B之间可逆地转化。对于取代基，Z为N、O或S；每个R1独立地选自H或卤素；每个R2独立地选自H、卤素、聚合物骨架、烷基或芳基；或者，当两个R2一起形成-CH═CH-并形成聚合物骨架的一部分时；每个R3独立地选自H、卤素、烷基、烷氧基、硫代烷基或芳基；每个R4为芳基；每个R5独立地选自H、卤素、烷基、烷氧基、硫代烷基或芳基。
• US20140256936A1
  申请人：——

  公开号：US20140256936A1

  公开（公告）日：2014-09-11
• US9227986B2
  申请人：——

  公开号：US9227986B2

  公开（公告）日：2016-01-05