(3R,6S)-1-[4-[10-(2,6-dimethylphenyl)sulfanyl-1',1'-diethyl-11-methoxy-5-(4-methoxyphenyl)spiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,4'-cyclohexane]-5-yl]phenyl]-3,6-dimethylazepane

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 黄酮类化合物
• 英文名称: (3R,6S)-1-[4-[10-(2,6-dimethylphenyl)sulfanyl-1',1'-diethyl-11-methoxy-5-(4-methoxyphenyl)spiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,4'-cyclohexane]-5-yl]phenyl]-3,6-dimethylazepane
• 化学式: C₅₉H₆₅NO₃S
• 分子量: 868.2
• InChiKey: SRWNZTFDVFBRKN-LJFCYGIESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  17.3
• 重原子数：
  64
• 可旋转键数：
  9
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  56.2
• 氢给体数：
  0
• 氢受体数：
  5

文献信息

• CHROMENE COMPOUND AND CURABLE COMPOSITION
  申请人：Tokuyama Corporation

  公开号：EP2759543A1

  公开（公告）日：2014-07-30

  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, R3 and R4 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.)

  一种色烯化合物，它在茚并(2,1-f)萘并(1,2-b)吡喃结构的 6 位和/或 7 位碳原子上具有下式 (2) 所代表的含硫取代基，并具有优异的光致变色性能和高温稳定性。 (在上式中，环 X 是芳香烃环或芳香杂环，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、卤原子、芳氧基或芳基与环 X 键合的杂环基团，"a "是 0 至 4 的整数)。