6-(11,20,29,38,40,41-Hexaza-2,39-diazoniadodecacyclo[19.17.1.11,12.13,37.02,10.04,9.013,18.022,27.028,39.030,38.031,36.019,41]hentetraconta-2,4(9),5,7,10,12,14,16,18,20,22,24,26,28(39),29,32,34,37(40)-octadecaen-6-yl)-11,20,29,38,40,41-hexaza-2,39-diazoniadodecacyclo[19.17.1.11,12.13,37.02,10.04,9.013,18.022,27.028,39.030,38.031,36.019,41]hentetraconta-2(10),3(40),4(9),5,7,11,13,15,17,19,21(39),22,24,26,28,30,32,34,36-nonadecaene

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物
• 英文名称: 6-(11,20,29,38,40,41-Hexaza-2,39-diazoniadodecacyclo[19.17.1.11,12.13,37.02,10.04,9.013,18.022,27.028,39.030,38.031,36.019,41]hentetraconta-2,4(9),5,7,10,12,14,16,18,20,22,24,26,28(39),29,32,34,37(40)-octadecaen-6-yl)-11,20,29,38,40,41-hexaza-2,39-diazoniadodecacyclo[19.17.1.11,12.13,37.02,10.04,9.013,18.022,27.028,39.030,38.031,36.019,41]hentetraconta-2(10),3(40),4(9),5,7,11,13,15,17,19,21(39),22,24,26,28,30,32,34,36-nonadecaene
• 英文别名: 6-(11,20,29,38,40,41-hexaza-2,39-diazoniadodecacyclo[19.17.1.11,12.13,37.02,10.04,9.013,18.022,27.028,39.030,38.031,36.019,41]hentetraconta-2,4(9),5,7,10,12,14,16,18,20,22,24,26,28(39),29,32,34,37(40)-octadecaen-6-yl)-11,20,29,38,40,41-hexaza-2,39-diazoniadodecacyclo[19.17.1.11,12.13,37.02,10.04,9.013,18.022,27.028,39.030,38.031,36.019,41]hentetraconta-2(10),3(40),4(9),5,7,11,13,15,17,19,21(39),22,24,26,28,30,32,34,36-nonadecaene
• 化学式: C66H32N16+4
• 分子量: 1049.1
• InChiKey: NRNNJGDIKQUQTM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.5
• 重原子数：
  82
• 可旋转键数：
  1
• 环数：
  24.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  127
• 氢给体数：
  0
• 氢受体数：
  4