2,6-Dimethyl-4-[4-(1',1',3',3'-tetramethyl-13-phenylspiro[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-dodecaene-18,2'-cyclopentane]-13-yl)phenyl]morpholine | 1008782-42-0

• 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: 2,6-Dimethyl-4-[4-(1',1',3',3'-tetramethyl-13-phenylspiro[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-dodecaene-18,2'-cyclopentane]-13-yl)phenyl]morpholine
• CAS: 1008782-42-0
• 化学式: C₅₃H₅₁NO₄
• 分子量: 765.992
• InChiKey: ZBCHCPTWHAXPFD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.4
• 重原子数：
  58
• 可旋转键数：
  3
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  40.2
• 氢给体数：
  0
• 氢受体数：
  5

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