5-[2-[4-[[1,7-Dimethyl-7-(2,5,5,6-tetramethyloct-7-en-2-ylsulfanyl)-4-(3,5,5-trimethylheptan-2-ylsulfanyl)-1,3,5-triazepin-1-ium-2-yl]amino]-5,8-dioxo-6-prop-1-enylnaphthalen-1-yl]ethylidene]-2-ethylidene-7-methyl-6-methylidene-4-oxo-3-prop-2-enylideneoctanal

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 5-[2-[4-[[1,7-Dimethyl-7-(2,5,5,6-tetramethyloct-7-en-2-ylsulfanyl)-4-(3,5,5-trimethylheptan-2-ylsulfanyl)-1,3,5-triazepin-1-ium-2-yl]amino]-5,8-dioxo-6-prop-1-enylnaphthalen-1-yl]ethylidene]-2-ethylidene-7-methyl-6-methylidene-4-oxo-3-prop-2-enylideneoctanal
• 英文别名: 5-[2-[4-[[1,7-dimethyl-7-(2,5,5,6-tetramethyloct-7-en-2-ylsulfanyl)-4-(3,5,5-trimethylheptan-2-ylsulfanyl)-1,3,5-triazepin-1-ium-2-yl]amino]-5,8-dioxo-6-prop-1-enylnaphthalen-1-yl]ethylidene]-2-ethylidene-7-methyl-6-methylidene-4-oxo-3-prop-2-enylideneoctanal
• 化学式: C58H81N4O4S2+
• 分子量: 962.4
• InChiKey: NWZUPXQJIOFDEI-UHFFFAOYSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  15
• 重原子数：
  68
• 可旋转键数：
  25
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  159
• 氢给体数：
  1
• 氢受体数：
  6