diethyl (5E)-5-[(2E)-2-(1-ethyl-3,3-dimethylindol-2-ylidene)ethylidene]-3-[(E)-2-(1-ethyl-2,3,3-trimethylindol-2-yl)ethenyl]cyclohex-3-ene-1,1-dicarboxylate

• 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: diethyl (5E)-5-[(2E)-2-(1-ethyl-3,3-dimethylindol-2-ylidene)ethylidene]-3-[(E)-2-(1-ethyl-2,3,3-trimethylindol-2-yl)ethenyl]cyclohex-3-ene-1,1-dicarboxylate
• 化学式: C₄₁H₅₂N₂O₄
• 分子量: 636.9
• InChiKey: UWTDHJKGOMKTON-RZIMFEDLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.8
• 重原子数：
  47
• 可旋转键数：
  11
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  59.1
• 氢给体数：
  0
• 氢受体数：
  6

文献信息

• [EN] 4,4-DISUBSTITUTED CYCLOHEXYL BRIDGED HEPTAMETHINE CYANINE DYES AND USES THEREOF<br/>[FR] COLORANTS D'HEPTAMÉTHINE CYANINE PONTÉE PAR CYCLOHEXYLE 4,4-DISUBSTITUÉ ET LEURS UTILISATIONS
  申请人：VISEN MEDICAL INC

  公开号：WO2014144702A2

  公开（公告）日：2014-09-18

  The invention relates to a family of compounds that comprise fluorescent cyanine dyes. The compounds are near infrared absorbing heptamethine cyanine dyes with a 4,4-disubstituted cyclohexyl ring as part of the polymethine chromophore. The compounds are generally hydrophilic and can be chemically linked to biomolecules, such as proteins, nucleic acids, and therapeutic small molecules. The compounds can be used for imaging in a variety of medical, biological and diagnostic applications.