14,28-Dithia-7,21-diazaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene;8-methyl-5,15-dithiaheptacyclo[14.12.0.02,14.04,12.06,11.018,27.020,25]octacosa-1(28),2(14),3,6(11),7,9,12,16,18,20,22,24,26-tridecaene

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: 14,28-Dithia-7,21-diazaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene;8-methyl-5,15-dithiaheptacyclo[14.12.0.02,14.04,12.06,11.018,27.020,25]octacosa-1(28),2(14),3,6(11),7,9,12,16,18,20,22,24,26-tridecaene
• 英文别名: 14,28-dithia-7,21-diazaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene;8-methyl-5,15-dithiaheptacyclo[14.12.0.02,14.04,12.06,11.018,27.020,25]octacosa-1(28),2(14),3,6(11),7,9,12,16,18,20,22,24,26-tridecaene
• 化学式: C51H28N2S4
• 分子量: 797.0
• InChiKey: WNOYJQQNEHTYFL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  16.56
• 重原子数：
  57
• 可旋转键数：
  0
• 环数：
  14.0
• sp3杂化的碳原子比例：
  0.02
• 拓扑面积：
  139
• 氢给体数：
  0
• 氢受体数：
  6