21,22-Difluoro-14,14-bis(4-methoxyphenyl)-1',1',5',5',20-pentamethylspiro[15,23-dioxa-20-azahexacyclo[15.8.0.02,10.03,8.011,16.019,24]pentacosa-1(25),2(10),3,5,7,11(16),12,17,19(24)-nonaene-9,3'-cyclohexane] | 1262589-89-8

• 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: 21,22-Difluoro-14,14-bis(4-methoxyphenyl)-1',1',5',5',20-pentamethylspiro[15,23-dioxa-20-azahexacyclo[15.8.0.02,10.03,8.011,16.019,24]pentacosa-1(25),2(10),3,5,7,11(16),12,17,19(24)-nonaene-9,3'-cyclohexane]
• CAS: 1262589-89-8
• 化学式: C₄₆H₄₅F₂NO₄
• 分子量: 713.864
• InChiKey: OFCQWRSIQRCBKD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.7
• 重原子数：
  53
• 可旋转键数：
  4
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  40.2
• 氢给体数：
  0
• 氢受体数：
  7

文献信息

• CHROMENE COMPOUND
  申请人：Takahashi Toshiaki

  公开号：US20120270071A1

  公开（公告）日：2012-10-25

  A chromene compound having a skeleton represented by the following formula (1) and exhibiting double peak characteristic: wherein Z is a group represented by any one of the following formulas: n is an integer of 1 to 3, when n is 2 or 3, Z′ s may be the same or different, with the proviso that when n is 1, Z cannot be —CH 2 —, and when n is 2 or 3, Z's cannot be —CH 2 — at the same time; R 1 is an electron absorbing group having a Hammett constant σ p of more than 0, with the proviso that when there are a plurality of R 1 's, R 1 's may be the same or different; and X and Y are each independently an oxygen atom or ═NR 2 , with the proviso that X and Y cannot be oxygen atoms at the same time.