[2-[5-[1,1-Dimethyl-3-(sulfonatomethyl)benzo[e]indol-3-ium-2-yl]-3-methylpenta-2,4-dienylidene]-1,1-dimethylbenzo[e]indol-3-yl]methanesulfonate;[2-[3-[3,3-dimethyl-1-(sulfonatomethyl)-6-thiophen-2-ylindol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-6-thiophen-2-ylindol-1-yl]methanesulfonate

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: [2-[5-[1,1-Dimethyl-3-(sulfonatomethyl)benzo[e]indol-3-ium-2-yl]-3-methylpenta-2,4-dienylidene]-1,1-dimethylbenzo[e]indol-3-yl]methanesulfonate;[2-[3-[3,3-dimethyl-1-(sulfonatomethyl)-6-thiophen-2-ylindol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-6-thiophen-2-ylindol-1-yl]methanesulfonate
• 英文别名: [2-[5-[1,1-dimethyl-3-(sulfonatomethyl)benzo[e]indol-3-ium-2-yl]-3-methylpenta-2,4-dienylidene]-1,1-dimethylbenzo[e]indol-3-yl]methanesulfonate;[2-[3-[3,3-dimethyl-1-(sulfonatomethyl)-6-thiophen-2-ylindol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-6-thiophen-2-ylindol-1-yl]methanesulfonate
• 化学式: C69H66N4O12S6-2
• 分子量: 1335.7
• InChiKey: HNMBOMAPHHSKJE-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  13.32
• 重原子数：
  91
• 可旋转键数：
  11
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  331
• 氢给体数：
  0
• 氢受体数：
  16