4-[4-(24,25-Dimethoxy-1',1',2',2'-tetramethyl-19-phenylspiro[20-oxahexacyclo[13.12.0.02,7.08,13.016,21.022,27]heptacosa-1(15),2,4,6,8,10,12,16(21),17,22,24,26-dodecaene-14,4'-cyclopentane]-19-yl)phenyl]-2,6-dimethylmorpholine | 1008782-31-7

• 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-(24,25-Dimethoxy-1',1',2',2'-tetramethyl-19-phenylspiro[20-oxahexacyclo[13.12.0.02,7.08,13.016,21.022,27]heptacosa-1(15),2,4,6,8,10,12,16(21),17,22,24,26-dodecaene-14,4'-cyclopentane]-19-yl)phenyl]-2,6-dimethylmorpholine
• CAS: 1008782-31-7
• 化学式: C₅₄H₅₅NO₄
• 分子量: 782.035
• InChiKey: NHBIROUHUTYMKQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.5
• 重原子数：
  59
• 可旋转键数：
  5
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.33
• 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：Tokuyama Corporation

  公开号：EP2055698A1

  公开（公告）日：2009-05-06

  A chromene compound represented by the following formula (1), wherein, "A" is an annulated ring, R1 and R2 are hydrogen atoms, hydroxyl groups or the like groups, R3, R4, R5 and R6 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.

  由下式(1)代表的色烯化合物、 其中 A "为环状环，R1 和 R2 为氢原子、羟基或类似基团、 R3、R4、R5 和 R6 是取代基，如羟基或类似基团、 "a "和 "b "分别是 0 至 4 的整数，以及 c "和 "d "分别为 0 至 5 的整数。色烯化合物是一种显中性色调的光致变色化合物，单位用量的颜色密度高。
• US7976739B2
  申请人：——

  公开号：US7976739B2

  公开（公告）日：2011-07-12