4-[2-[5-[1,1-Dimethyl-3-(sulfonatomethyl)benzo[e]indol-3-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethylindol-1-yl]butane-2-sulfonate;[2-[3-[1,1-dimethyl-3-(sulfonatomethyl)benzo[e]indol-3-ium-2-yl]prop-2-enylidene]-3,3-dimethylindol-1-yl]methanesulfonate;4-[2-[3-[3,3-dimethyl-1-(sulfonatomethyl)indol-1-ium-2-yl]prop-2-enylidene]-1,1-dimethylbenzo[e]indol-3-yl]butane-2-sulfonate

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 4-[2-[5-[1,1-Dimethyl-3-(sulfonatomethyl)benzo[e]indol-3-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethylindol-1-yl]butane-2-sulfonate;[2-[3-[1,1-dimethyl-3-(sulfonatomethyl)benzo[e]indol-3-ium-2-yl]prop-2-enylidene]-3,3-dimethylindol-1-yl]methanesulfonate;4-[2-[3-[3,3-dimethyl-1-(sulfonatomethyl)indol-1-ium-2-yl]prop-2-enylidene]-1,1-dimethylbenzo[e]indol-3-yl]butane-2-sulfonate
• 英文别名: 4-[2-[5-[1,1-dimethyl-3-(sulfonatomethyl)benzo[e]indol-3-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethylindol-1-yl]butane-2-sulfonate;[2-[3-[1,1-dimethyl-3-(sulfonatomethyl)benzo[e]indol-3-ium-2-yl]prop-2-enylidene]-3,3-dimethylindol-1-yl]methanesulfonate;4-[2-[3-[3,3-dimethyl-1-(sulfonatomethyl)indol-1-ium-2-yl]prop-2-enylidene]-1,1-dimethylbenzo[e]indol-3-yl]butane-2-sulfonate
• 化学式: C95H101N6O18S6-3
• 分子量: 1807.2
• InChiKey: AXZXGUSNHVJCRA-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  15.58
• 重原子数：
  125
• 可旋转键数：
  17
• 环数：
  15.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  412
• 氢给体数：
  0
• 氢受体数：
  21