11,23,35,47-Tetrathia-49,50,51,52-tetrazatridecacyclo[37.9.1.13,13.115,25.127,37.04,12.05,10.016,24.017,22.028,36.029,34.040,48.041,46]dopentaconta-1,3,5,7,9,12,14,16(24),17,19,21,25,27,29,31,33,36,38,41,43,45-henicosaene

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四吡咯及其衍生物
• 英文名称: 11,23,35,47-Tetrathia-49,50,51,52-tetrazatridecacyclo[37.9.1.13,13.115,25.127,37.04,12.05,10.016,24.017,22.028,36.029,34.040,48.041,46]dopentaconta-1,3,5,7,9,12,14,16(24),17,19,21,25,27,29,31,33,36,38,41,43,45-henicosaene
• 英文别名: 11,23,35,47-tetrathia-49,50,51,52-tetrazatridecacyclo[37.9.1.13,13.115,25.127,37.04,12.05,10.016,24.017,22.028,36.029,34.040,48.041,46]dopentaconta-1,3,5,7,9,12,14,16(24),17,19,21,25,27,29,31,33,36,38,41,43,45-henicosaene
• 化学式: C₄₄H₂₆N₄S₄
• 分子量: 739.0
• InChiKey: NOSACZVIYVAMBO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12
• 重原子数：
  52
• 可旋转键数：
  0
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  166
• 氢给体数：
  4
• 氢受体数：
  6