4-[4-[18-Butyl-18-(2-methoxyethoxy)-13-phenyl-5,7,12-trioxaheptacyclo[15.13.0.02,10.04,8.011,16.019,24.025,30]triaconta-1(17),2,4(8),9,11(16),14,19,21,23,25,27,29-dodecaen-13-yl]phenyl]-2,6-dimethylmorpholine | 1008782-33-9

• 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-Butyl-18-(2-methoxyethoxy)-13-phenyl-5,7,12-trioxaheptacyclo[15.13.0.02,10.04,8.011,16.019,24.025,30]triaconta-1(17),2,4(8),9,11(16),14,19,21,23,25,27,29-dodecaen-13-yl]phenyl]-2,6-dimethylmorpholine
• CAS: 1008782-33-9
• 化学式: C₅₂H₅₁NO₆
• 分子量: 785.98
• InChiKey: SBQBFMWMGRJZRV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.3
• 重原子数：
  59
• 可旋转键数：
  10
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  58.6
• 氢给体数：
  0
• 氢受体数：
  7

文献信息

• CHROMENE COMPOUND
  申请人：Izumi Shinobu

  公开号：US20100230649A1

  公开（公告）日：2010-09-16

  A chromene compound represented by the following formula (1), wherein, “A” is an annulated ring, R 1 and R 2 are hydrogen atoms, hydroxyl groups or the like groups, R 3 , R 4 , R 5 and R 6 are substituents such as hydroxyl groups or the like groups, “a” and “b” are, respectively, integers of 0 to 4, and “c” and “d” are, respectively, integers of 0 to 5. The chromene compound is a photochromic compound developing a color of a neutral tint, and has a high color density per a unit amount.
• US7976739B2
  申请人：——

  公开号：US7976739B2

  公开（公告）日：2011-07-12