4-[4-(18,18,19,19-Tetramethyl-13-phenyl-5,7,12-trioxahexacyclo[15.8.0.02,10.04,8.011,16.020,25]pentacosa-1(17),2,4(8),9,11(16),14,20,22,24-nonaen-13-yl)phenyl]morpholine | 945425-14-9

• 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-(18,18,19,19-Tetramethyl-13-phenyl-5,7,12-trioxahexacyclo[15.8.0.02,10.04,8.011,16.020,25]pentacosa-1(17),2,4(8),9,11(16),14,20,22,24-nonaen-13-yl)phenyl]morpholine
• CAS: 945425-14-9
• 化学式: C₄₂H₃₉NO₄
• 分子量: 621.776
• InChiKey: IVWVUXRNSNMAGJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.9
• 重原子数：
  47
• 可旋转键数：
  3
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  40.2
• 氢给体数：
  0
• 氢受体数：
  5

文献信息

• Chromene Compounds
  申请人：Izumi Shinobu

  公开号：US20100230648A1

  公开（公告）日：2010-09-16

  A chromene compound represented by the following formula (1), wherein R 1 , R 2 , R 3 and R 4 are, respectively, hydrogen atoms, alkyl groups, aryl groups, or the like groups under a condition that at least two of R 1 to R 4 are not hydrogen atoms, R 5 , R 6 , R 7 and R 8 are, respectively, alkyl groups, aryl groups or the like groups, m and n are, respectively, integers of 0 to 4, and x and y are, respectively, integers of 0 to 5. The compound has a basic structure in which a 6-membered ring is condensed in a form of shearing a carbon atom at the fifth position and a carbon atom at the sixth position of a 2H-benzo[h]chromene skeleton. Owing to this molecular structure, the chromene compound of the invention develops a yellow color or a neutral tint by itself, exhibits favorable photochromic properties, and does not exhibit deteriorated photochromic properties even when it is used in combination with a photopolymerization initiator.
• US8123987B2
  申请人：——

  公开号：US8123987B2

  公开（公告）日：2012-02-28