(5E)-5-[(Z,4Z)-3-ethoxy-4-(3-ethyl-5-methyl-1,3-benzothiazol-2-ylidene)but-2-enylidene]-3-ethyl-2-[(Z)-(3-ethyl-4,5-diphenyl-1,3-thiazol-2-ylidene)methyl]-1,3-thiazol-3-ium-4-one

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: (5E)-5-[(Z,4Z)-3-ethoxy-4-(3-ethyl-5-methyl-1,3-benzothiazol-2-ylidene)but-2-enylidene]-3-ethyl-2-[(Z)-(3-ethyl-4,5-diphenyl-1,3-thiazol-2-ylidene)methyl]-1,3-thiazol-3-ium-4-one
• 化学式: C39H40N3O2S3+
• 分子量: 679.0
• InChiKey: PRJLLVXPRYGHBA-UNPPOTTHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.5
• 重原子数：
  47
• 可旋转键数：
  10
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  112
• 氢给体数：
  0
• 氢受体数：
  7

文献信息

• Cyanoborate, Fluoroalkylphosphate, Fluoroalkylborate or Imide Dyes
  申请人：Ignatyev Nikolai (Mykola)

  公开号：US20080275224A1

  公开（公告）日：2008-11-06

  The present invention relates to dyes of the general formula CAT + Y − (I), where Y − is an anion selected from the group of the cyanoborates, fluoroalkylphosphates, fluoroalkylborates or imidates and CAT + is a cation selected from the group of the azine, xanthene, polymethine, styryl, azo, tetrazolium, pyrylium, benzopyrylium, thiopyrylium, benzothiopyrylium, thiazine, oxazine, triarylmethane, diarylmethane, methine, acridine, quinoline, isoquinoline or quaternary azafluorenone dyes, for colouring plastics and plastic fibres, for the preparation of flexographic printing inks, as ball-point pen pastes, as stamp ink, for colouring leather and paper, for use in data acquisition systems, reprography, in ink microfilters, in photogalvanics, laser technology and the photo industry.

  本发明涉及一般公式CAT+Y-（I）的染料，其中Y-是从氰硼酸盐、氟烷基磷酸盐、氟烷基硼酸盐或咪唑盐组中选择的阴离子，CAT+是从吖嗪、黄色素、聚甲烯、苯乙烯、偶氮、四唑、吡啶杂环、苯并吡喃杂环、硫吡喃杂环、苯并硫吡喃杂环、噻吩、噁吩、三芳基甲烷、二芳基甲烷、甲烯、花菁、喹啉、异喹啉或季铵氮杂花菁染料组中选择的阳离子，用于染色塑料和塑料纤维，用于制备凹版印刷油墨，作为圆珠笔浆料、邮票墨水，用于染色皮革和纸张，用于数据采集系统、复印、油墨微滤器、光电镀、激光技术和照相产业。
• US7939644B2
  申请人：——

  公开号：US7939644B2

  公开（公告）日：2011-05-10