2-[2-(3,5-Diphenyl-3,4-dihydropyrazol-2-yl)ethenyl]-1,3,3-trimethylindol-1-ium

• 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: 2-[2-(3,5-Diphenyl-3,4-dihydropyrazol-2-yl)ethenyl]-1,3,3-trimethylindol-1-ium
• 英文别名: 2-[2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)ethenyl]-1,3,3-trimethylindol-1-ium
• 化学式: C28H28N3+
• 分子量: 406.5
• InChiKey: ZPLHURWQJAADBR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  31
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  18.6
• 氢给体数：
  0
• 氢受体数：
  2

文献信息

• Composition for Dyeing Human Keratin Fibres, Comprising a 1H-Pyrazolyl-Ethenyl-Indolium Derivative
  申请人：Greaves Andrew

  公开号：US20080000033A1

  公开（公告）日：2008-01-03

  The present invention relates to a dye composition comprising, in a suitable cosmetic medium, a 1H-pyrazolyl-ethenyl-indolium derivative of formula (I) below: in which R1 represents a linear or branched C1-C4 alkyl radical or a C1-C4 aralkyl radical, R2 represents a hydrogen atom, a C1-C4 alkyl radical, a C1-C4 alkoxy radical, a halogen atom or a nitro group; R3 and R4, which may be identical or different, represent a hydrogen atom, a C1-C4 alkyl radical, an aryl radical which may be substituted with one radical R chosen from a halogen atom, a hydroxyl radical, a C1-C4 alkyl radical, a C1-C4 alkoxy radical, a carboxyl radical and a trifluoromethyl radical, R5 represents a hydrogen atom, a C1-C4 alkyl radical or an aryl radical that may be substituted with one radical R, and X is a counterion. Such a composition makes it possible to obtain direct colourations that are particularly resistant to external agents, in particular to shampoo.