4-[4-[14-(4-Methoxyphenyl)-1',1'-dimethyl-21,21-di(propan-2-yl)spiro[15,22-dioxa-20-thiahexacyclo[15.7.0.02,10.03,8.011,16.019,23]tetracosa-1(24),2(10),3,5,7,11(16),12,17,19(23)-nonaene-9,4'-cyclohexane]-14-yl]phenyl]morpholine | 1398417-05-4

• 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: 4-[4-[14-(4-Methoxyphenyl)-1',1'-dimethyl-21,21-di(propan-2-yl)spiro[15,22-dioxa-20-thiahexacyclo[15.7.0.02,10.03,8.011,16.019,23]tetracosa-1(24),2(10),3,5,7,11(16),12,17,19(23)-nonaene-9,4'-cyclohexane]-14-yl]phenyl]morpholine
• CAS: 1398417-05-4
• 化学式: C₅₁H₅₅NO₄S
• 分子量: 778.068
• InChiKey: FGJFWHGDEBUBPD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.9
• 重原子数：
  57
• 可旋转键数：
  6
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  65.5
• 氢给体数：
  0
• 氢受体数：
  6

文献信息

• CHROMENE COMPOUND
  申请人：Takenaka Junji

  公开号：US20140054520A1

  公开（公告）日：2014-02-27

  A novel photochromic compound which develops a color of a neutral tint and has high color optical density, high fading speed and excellent durability. The present invention is a chromene compound having an indeno(2,1-f)naphtho(1,2-b)pyran structure as the basic skeleton in which a hetero ring having two hetero atoms including at least one sulfur atom is directly bonded to the 6-position and the 7-position of the indeno(2,1-f)naphtho(1,2-b)pyran structure via the hetero atom like the compound represented by the following formula (18).

  一种新型的光致变色化合物，可呈现出中性色调的颜色，具有高色彩光密度、高褪色速度和极好的耐久性。本发明是一种含有吲哚并[2,1-f]萘并[1,2-b]吡喃结构作为基本骨架的咔喃化合物，其中一个含有至少一个硫原子的杂环直接连接到吲哚并[2,1-f]萘并[1,2-b]吡喃结构的6位和7位上，就像以下式子（18）所表示的化合物。
• US8778236B2
  申请人：——

  公开号：US8778236B2

  公开（公告）日：2014-07-15