7-[[5-[[2,6-Bis(4-chloro-3-sulfoanilino)-5-cyano-4-methylpyridin-3-yl]diazenyl]-3-[4-[[4,6-bis(3-sulfopropylsulfanyl)-1,3,5-triazin-2-yl]amino]phenyl]-4-cyanothiophen-2-yl]diazenyl]naphthalene-1,3,5-trisulfonic acid

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 7-[[5-[[2,6-Bis(4-chloro-3-sulfoanilino)-5-cyano-4-methylpyridin-3-yl]diazenyl]-3-[4-[[4,6-bis(3-sulfopropylsulfanyl)-1,3,5-triazin-2-yl]amino]phenyl]-4-cyanothiophen-2-yl]diazenyl]naphthalene-1,3,5-trisulfonic acid
• 英文别名: 7-[[5-[[2,6-bis(4-chloro-3-sulfoanilino)-5-cyano-4-methylpyridin-3-yl]diazenyl]-3-[4-[[4,6-bis(3-sulfopropylsulfanyl)-1,3,5-triazin-2-yl]amino]phenyl]-4-cyanothiophen-2-yl]diazenyl]naphthalene-1,3,5-trisulfonic acid
• 化学式: C₄₉H₃₉Cl₂N₁₃O₂₁S₁₀
• 分子量: 1537.5
• InChiKey: XXXGLOPSJFELTC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.8
• 重原子数：
  95
• 可旋转键数：
  26
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  703
• 氢给体数：
  10
• 氢受体数：
  37

文献信息

• AZO COMPOUND, AQUEOUS SOLUTION, INK COMPOSITION, INK FOR INKJET RECORDING, INKJET RECORDING METHOD, INK CARTRIDGE FOR INKJET RECORDING, AND INKJET RECORDED MATERIAL
  申请人：FUJIFILM Corporation

  公开号：US20140084578A1

  公开（公告）日：2014-03-27

  There is provided a compound represented by the following formula (1): wherein each of R 1a to R 1k independently represents a hydrogen atom or a monovalent substituent, the substituents may combine with each other to form a ring, each of M 1a and M 1b independently represents a hydrogen atom or a monovalent counter cation, Y 1 represents a nitrogen atom or a carbon atom having a hydrogen atom or monovalent substituent, A 1 represents an aromatic group, and the aromatic group represented by A 1 may contain a heteroatom or may have a substituent.