4-[3,19,29,45-Tetrakis[2,6-di(propan-2-yl)phenyl]-50-(4-methoxyphenyl)-2,4,18,20,28,30,44,46-octaoxo-3,19,24,29,45,50-hexazaoctadecacyclo[36.14.1.112,27.05,53.07,37.08,17.09,35.010,15.011,33.013,25.014,23.016,21.034,43.036,41.039,51.040,49.042,47.031,54]tetrapentaconta-1(52),5(53),6,8,10(15),11,13(25),14(23),16,21,26,31(54),32,34,36(41),37,39(51),40(49),42,47-icosaen-24-yl]benzaldehyde

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 英文名称: 4-[3,19,29,45-Tetrakis[2,6-di(propan-2-yl)phenyl]-50-(4-methoxyphenyl)-2,4,18,20,28,30,44,46-octaoxo-3,19,24,29,45,50-hexazaoctadecacyclo[36.14.1.112,27.05,53.07,37.08,17.09,35.010,15.011,33.013,25.014,23.016,21.034,43.036,41.039,51.040,49.042,47.031,54]tetrapentaconta-1(52),5(53),6,8,10(15),11,13(25),14(23),16,21,26,31(54),32,34,36(41),37,39(51),40(49),42,47-icosaen-24-yl]benzaldehyde
• 英文别名: 4-[3,19,29,45-tetrakis[2,6-di(propan-2-yl)phenyl]-50-(4-methoxyphenyl)-2,4,18,20,28,30,44,46-octaoxo-3,19,24,29,45,50-hexazaoctadecacyclo[36.14.1.112,27.05,53.07,37.08,17.09,35.010,15.011,33.013,25.014,23.016,21.034,43.036,41.039,51.040,49.042,47.031,54]tetrapentaconta-1(52),5(53),6,8,10(15),11,13(25),14(23),16,21,26,31(54),32,34,36(41),37,39(51),40(49),42,47-icosaen-24-yl]benzaldehyde
• 化学式: C₁₁₀H₈₆N₆O₁₀
• 分子量: 1651.9
• InChiKey: ZYDWLDTUYAQOSR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  25.4
• 重原子数：
  126
• 可旋转键数：
  16
• 环数：
  24.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  186
• 氢给体数：
  0
• 氢受体数：
  10