13,16-Dichloro-45-(2,3-dimethyl-5-propan-2-ylocta-3,5,7-trien-4-yl)-9,20,34-tris[2,6-di(propan-2-yl)phenyl]-9,20,34,45-tetrazahexadecacyclo[45.3.1.122,26.02,7.03,28.04,25.05,14.06,11.015,24.018,23.027,32.029,50.030,39.031,36.040,49.043,48]dopentaconta-1,3(28),4,6,11,13,15,17,22,24,26(52),27(32),29,31(36),37,39,41,43(48),47(51),49-icosaene-8,10,19,21,33,35,44,46-octone

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 英文名称: 13,16-Dichloro-45-(2,3-dimethyl-5-propan-2-ylocta-3,5,7-trien-4-yl)-9,20,34-tris[2,6-di(propan-2-yl)phenyl]-9,20,34,45-tetrazahexadecacyclo[45.3.1.122,26.02,7.03,28.04,25.05,14.06,11.015,24.018,23.027,32.029,50.030,39.031,36.040,49.043,48]dopentaconta-1,3(28),4,6,11,13,15,17,22,24,26(52),27(32),29,31(36),37,39,41,43(48),47(51),49-icosaene-8,10,19,21,33,35,44,46-octone
• 英文别名: 13,16-dichloro-45-(2,3-dimethyl-5-propan-2-ylocta-3,5,7-trien-4-yl)-9,20,34-tris[2,6-di(propan-2-yl)phenyl]-9,20,34,45-tetrazahexadecacyclo[45.3.1.122,26.02,7.03,28.04,25.05,14.06,11.015,24.018,23.027,32.029,50.030,39.031,36.040,49.043,48]dopentaconta-1,3(28),4,6,11,13,15,17,22,24,26(52),27(32),29,31(36),37,39,41,43(48),47(51),49-icosaene-8,10,19,21,33,35,44,46-octone
• 化学式: C₉₇H₈₀Cl₂N₄O₈
• 分子量: 1500.6
• InChiKey: ILKCRAUSKCXITC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  25.7
• 重原子数：
  111
• 可旋转键数：
  14
• 环数：
  19.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  150
• 氢给体数：
  0
• 氢受体数：
  8