2'-(2,6-Dimethylphenyl)sulfanyl-3'-methoxyspiro[1,3,3a,4,5,6,7,7a-octahydroindene-2,7'-benzo[c]fluorene]-5'-ol

• 分子结构分类: 有机化合物 - 苯类化合物 - 芴
• 英文名称: 2'-(2,6-Dimethylphenyl)sulfanyl-3'-methoxyspiro[1,3,3a,4,5,6,7,7a-octahydroindene-2,7'-benzo[c]fluorene]-5'-ol
• 英文别名: 2'-(2,6-dimethylphenyl)sulfanyl-3'-methoxyspiro[1,3,3a,4,5,6,7,7a-octahydroindene-2,7'-benzo[c]fluorene]-5'-ol
• 化学式: C₃₄H₃₄O₂S
• 分子量: 506.7
• InChiKey: WNASSTSCAOTLCN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.3
• 重原子数：
  37
• 可旋转键数：
  3
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  54.8
• 氢给体数：
  1
• 氢受体数：
  3

文献信息

• CHROMENE COMPOUND AND CURABLE COMPOSITION
  申请人：TOKUYAMA CORPORATION

  公开号：US20140225050A1

  公开（公告）日：2014-08-14

  A chromene compound which has a sulfur-containing substituent represented by the following formula (2) at the 6-position and/or 7-position carbon atom of an indeno (2,1-f)naphtho(1,2-b)pyran structure and is excellent in photochromic properties and stability at a high temperature. (In the above formula, ring X is an aromatic hydrocarbon ring or aromatic heterocyclic ring, R 3 and R 4 are each independently an alkyl group, haloalkyl group, cycloalkyl group, alkoxy group, amino group, heterocyclic group containing a ring member nitrogen atom and bonded to the ring X bonded thereto via the nitrogen atom, halogen atom, aryloxy group or aryl group, and “a” is an integer of 0 to 4.)

  一种含有硫取代基的色烯化合物，其在indeno（2,1-f）naphtho（1,2-b）pyran结构的6-位和/或7-位碳原子处，用以下式子（2）表示，并且具有优异的光致变色性能和高温稳定性。（在上述式子中，环X是芳香族烃环或芳香族杂环环，R3和R4各自独立地是烷基，卤代烷基，环烷基，烷氧基，氨基，含有环成员氮原子并通过氮原子与环X结合的杂环基，卤素原子，芳氧基或芳基，而“a”是0到4的整数。）
• US8916071B2
  申请人：——

  公开号：US8916071B2

  公开（公告）日：2014-12-23