ethyl 8-(4'-[6-(4-pentylphenoxy)hexyloxy]phenyl)-2-(4-fluorophenyl)-2-(4-methoxyphenyl)-2H-naphtho[1,2-b]pyran-5-carboxylate | 1021906-54-6

• 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: ethyl 8-(4'-[6-(4-pentylphenoxy)hexyloxy]phenyl)-2-(4-fluorophenyl)-2-(4-methoxyphenyl)-2H-naphtho[1,2-b]pyran-5-carboxylate
• 英文别名: Ethyl 2-(4-fluorophenyl)-2-(4-methoxyphenyl)-8-[4-[6-(4-pentylphenoxy)hexoxy]phenyl]benzo[h]chromene-5-carboxylate
• CAS: 1021906-54-6
• 化学式: C₅₂H₅₃FO₆
• 分子量: 792.988
• InChiKey: DDMOEVLXDMLOAK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  14.1
• 重原子数：
  59
• 可旋转键数：
  20
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  63.2
• 氢给体数：
  0
• 氢受体数：
  7

文献信息

• DICHROIC-PHOTOCHROMIC COMPOUNDS AND DEVICES
  申请人：Sukhomlinova Ludmila

  公开号：US20100324296A1

  公开（公告）日：2010-12-23

  A naphthopyran compound represented by the formula B 1 and B 2 may include a phenyl, naphthyl, or heterocyclic aromatic group, or may combine to form one or more aromatic rings. B 1 and B 2 may further include one or more substituents. R a may include an alkyl, polycycloalkyl, alkenyl, polyalkenyl, haloalkyl, perhaloalkyl, alkynyl, polyalkynyl, hydroxyalkynyl, polyhydroxyalkynyl; or (C 3-20 )cycloalkyl group. R b and R c may include hydrogen or alkyl groups, or may combine to form a saturated heterocyclic group, or together with an adjacent phenyl group may form a julolidinyl group. R 3 , R 4 , R 5 , R 6 , and R 10 may include hydrogen, halogen, —R a , —OH, —OR a , —O—CO—R a , —CN, —NO 2 , —SO 2 R a , —SOR a , —SH, —SR a , —NH 2 , —NHR a , —NR a R a , or —NR b R c ; or any two or more may combine to form a cyclic group. R 7 is a mesogenic group. And the naphthopyran, which may be referred to as a dichroic-photochromic compound, may be incorporated into an optical article.