4-[4-[22-Butyl-10,22-dimethoxy-5-(4-methoxyphenyl)-6-oxapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,8(13),9,11,15,17,19-nonaen-5-yl]phenyl]morpholine | 945424-98-6

• 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-[22-Butyl-10,22-dimethoxy-5-(4-methoxyphenyl)-6-oxapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,8(13),9,11,15,17,19-nonaen-5-yl]phenyl]morpholine
• CAS: 945424-98-6
• 化学式: C₄₄H₄₅NO₅
• 分子量: 667.845
• InChiKey: WXRGNQJCTJGUBY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.3
• 重原子数：
  50
• 可旋转键数：
  9
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  49.4
• 氢给体数：
  0
• 氢受体数：
  6

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