4-[2-[(E)-2-[(3E)-3-[(2E)-2-[3,3-dimethyl-1-[4-(trioxidanylsulfanyl)butyl]indol-2-ylidene]ethylidene]-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopenten-1-yl]ethenyl]-3,3-dimethylindol-1-ium-1-yl]butane-1-sulfonic acid

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 4-[2-[(E)-2-[(3E)-3-[(2E)-2-[3,3-dimethyl-1-[4-(trioxidanylsulfanyl)butyl]indol-2-ylidene]ethylidene]-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopenten-1-yl]ethenyl]-3,3-dimethylindol-1-ium-1-yl]butane-1-sulfonic acid
• 化学式: C43H58N3O8S2+
• 分子量: 809.1
• InChiKey: VTUXFLBQQLGZPG-UHFFFAOYSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  7.1
• 重原子数：
  56
• 可旋转键数：
  18
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.49
• 拓扑面积：
  163
• 氢给体数：
  2
• 氢受体数：
  10

文献信息

• HEAT-SENSITIVE IMAGING ELEMENT
  申请人：Callant Paul

  公开号：US20100040976A1

  公开（公告）日：2010-02-18

  A heat-sensitive imaging element includes an IR dye, and more particularly a heat-sensitive lithographic printing plate precursor includes the IR dye. A method for making the lithographic printing plate produces a print-out image of high contrast upon exposure to IR-radiation or heating.
• NOVEL INTERMEDIATE COMPOUNDS FOR THE PREPARATION OF MESO-SUBSTITUTED CYANINE, MEROCYANINE AND OXONOLE DYES
  申请人：Callant Paul

  公开号：US20100274023A1

  公开（公告）日：2010-10-28

  The present invention provides new intermediate compounds enabling the preparation of N-meso substituted cyanine, merocyanine or oxonole dyes wherein the N-meso substituent comprises electron withdrawing groups and wherein such N-meso substituents are introduced at the intermediate level. These intermediates enable the formation of dyes having in the meso-position N-substituents comprising electron withdrawing groups without the need for further derivatization of the meso-substituent at the dye level.
• US8148042B2
  申请人：——

  公开号：US8148042B2

  公开（公告）日：2012-04-03
• US8178282B2
  申请人：——

  公开号：US8178282B2

  公开（公告）日：2012-05-15