1-[4-[4-(3,4-Diethyl-4-methylhexan-3-yl)-2-(hexylamino)-5-(methylamino)phenyl]phenyl]-4-[4-[4-[4-[4-(3,4-diethyl-4-methylhexan-3-yl)-5-methyl-2-(methylamino)phenyl]-5-(hexylamino)-2-(methylamino)phenyl]-3,4-diethylhexan-3-yl]phenyl]-5-(hexylamino)-2-(methylamino)pyrrolo[3,4-c]pyrrole-3,6-dione

• 分子结构分类: 有机化合物 - 木脂素、新木脂素和相关化合物
• 英文名称: 1-[4-[4-(3,4-Diethyl-4-methylhexan-3-yl)-2-(hexylamino)-5-(methylamino)phenyl]phenyl]-4-[4-[4-[4-[4-(3,4-diethyl-4-methylhexan-3-yl)-5-methyl-2-(methylamino)phenyl]-5-(hexylamino)-2-(methylamino)phenyl]-3,4-diethylhexan-3-yl]phenyl]-5-(hexylamino)-2-(methylamino)pyrrolo[3,4-c]pyrrole-3,6-dione
• 英文别名: 1-[4-[4-(3,4-diethyl-4-methylhexan-3-yl)-2-(hexylamino)-5-(methylamino)phenyl]phenyl]-4-[4-[4-[4-[4-(3,4-diethyl-4-methylhexan-3-yl)-5-methyl-2-(methylamino)phenyl]-5-(hexylamino)-2-(methylamino)phenyl]-3,4-diethylhexan-3-yl]phenyl]-5-(hexylamino)-2-(methylamino)pyrrolo[3,4-c]pyrrole-3,6-dione
• 化学式: C₉₁H₁₄₁N₉O₂
• 分子量: 1393.1
• InChiKey: MRRTULUHZRNMIG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  28.5
• 重原子数：
  102
• 可旋转键数：
  45
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  125
• 氢给体数：
  7
• 氢受体数：
  9