4,14,15-Trimethyl-9-(7,7,10-trimethyl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-5,8-dithiatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),3,7(11),9,13,15-heptaene

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 4,14,15-Trimethyl-9-(7,7,10-trimethyl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-5,8-dithiatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),3,7(11),9,13,15-heptaene
• 英文别名: 4,14,15-trimethyl-9-(7,7,10-trimethyl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-5,8-dithiatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),3,7(11),9,13,15-heptaene
• 化学式: C₂₉H₂₄S₄
• 分子量: 500.8
• InChiKey: DEOOJXYHXAGETQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.4
• 重原子数：
  33
• 可旋转键数：
  1
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  113
• 氢给体数：
  0
• 氢受体数：
  4

文献信息

• DITHIENOPHTHALIMIDE SEMICONDUCTOR POLYMERS
  申请人：Noguchi Hiroyoshi

  公开号：US20140142265A1

  公开（公告）日：2014-05-22

  The invention concerns apolymer of the formula (I): wherein: M1 is an optionally substituted dithienophthalimide formula (II): wherein: X is N or C—R, wherein R is H or a C 1 -C 40 alkyl group, R 2 , at each occurrence, is independently selected from H, a C 1-40 alkyl group, a C 2-40 alkenyl group, a C 1-40 haloalkyl group, and a monocyclicor polycyclic moiety, wherein: each of the C 1-40 alkyl group, the C 2-40 alkenyl group, and the C 1-40 haloalkyl group can be optionally substituted with 1-10 substituents independently selected from a halogen, CN, —NO 2 , OH, NH 2 , —NH(C 1-20 alkyl), N(C 1-20 alkyl) 2 , —S(O) 2 OH, —CHO, —C(O)—C 1-20 alkyl, —C(O)OH, —C(O)—OC 1-20 alkyl, —C(O)NH 2 , —C(O)NH—C 1-20 alkyl, —C(O)N(C 1-20 alkyl) 2 , —OC 1-20 alkyl, —SiH 3 , —SiH(C 1-20 alkyl) 2 , —SiH 2 (C 1-20 alkyl), and —Si(C 1-20 alkyl) 3 ; and the monocyclic or polycyclic moiety can be covalently bonded to the imide nitrogen via an optional linker, and can be optionally substituted with 1-5 substituentsindependently selected from a halogen, oxo, —CN, —NO 2 , OH, ═C(CN) 2 , —NH 2 , —NH(C 1-20 alkyl), N(C 1-20 alkyl) 2 , —S(O) 2 OH, —CHO, —C(O)OH, —C(O)—C 1-20 alkyl, —C(O)—OC 1-20 alkyl, —C(O)NH 2 , —C(O)NH—C 1-20 alkyl, —C(O)N(C 1-20 alkyl) 2 , —SiH 3 , —SiH(C 1-20 alkyl) 2 , —SiH 2 (C 1-20 alkyl), —Si(C 1-20 alkyl) 3 , —O—C 1-20 alkyl, —O—C 1-20 alkenyl, —O—C 1-20 haloalkyl, C 1-20 alkyl, C 1-20 alkenyl, C 1-20 haloalkyl, C 7-20 arylalkyl, C 6-20 aryloxy and C 7-20 arylcarbonyl. M 2 is a repeating unit comprising one or more cyclic moieties; and n is an integer between 2 and 5,000.
• US9006725B2
  申请人：——

  公开号：US9006725B2

  公开（公告）日：2015-04-14