[9-[2-Carboxy-4-[[9-(2-carboxyphenyl)-5-[[5-[2-[5-(1-ethyl-3,3-dimethyl-5-sulfoindol-2-ylidene)penta-1,3-dienyl]-3,3-dimethyl-5-sulfoindol-1-ium-1-yl]pentoxymethylamino]methyl]-3-hydroxy-6-oxoxanthen-4-yl]methylcarbamoyl]phenyl]-6-(methylaminomethyl)xanthen-3-ylidene]-dimethylazanium

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: [9-[2-Carboxy-4-[[9-(2-carboxyphenyl)-5-[[5-[2-[5-(1-ethyl-3,3-dimethyl-5-sulfoindol-2-ylidene)penta-1,3-dienyl]-3,3-dimethyl-5-sulfoindol-1-ium-1-yl]pentoxymethylamino]methyl]-3-hydroxy-6-oxoxanthen-4-yl]methylcarbamoyl]phenyl]-6-(methylaminomethyl)xanthen-3-ylidene]-dimethylazanium
• 英文别名: [9-[2-carboxy-4-[[9-(2-carboxyphenyl)-5-[[5-[2-[5-(1-ethyl-3,3-dimethyl-5-sulfoindol-2-ylidene)penta-1,3-dienyl]-3,3-dimethyl-5-sulfoindol-1-ium-1-yl]pentoxymethylamino]methyl]-3-hydroxy-6-oxoxanthen-4-yl]methylcarbamoyl]phenyl]-6-(methylaminomethyl)xanthen-3-ylidene]-dimethylazanium
• 化学式: C80H80N6O16S2+2
• 分子量: 1445.7
• InChiKey: NMDWHACWMDQGBB-UHFFFAOYSA-P

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  104
• 可旋转键数：
  25
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  328
• 氢给体数：
  8
• 氢受体数：
  19