(2Z,40Z)-2,15,28,41,54,56-hexaza-53,55-diazanidatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1(52),2,4,6,8,10,12,14(56),15,17,19,21,23,25,27,29(54),30,32,34,36,38,40,44,46,48,50-hexacosaene;(25Z,39Z)-54-hydroxy-13,26,39,52,53,55,56,57-octaza-54-gallatetradecacyclo[25.25.3.114,25.140,51.02,11.04,9.012,53.015,24.017,22.028,37.030,35.038,55.041,50.043,48]heptapentaconta-1(52),2,4,6,8,10,12,14(57),15,17,19,21,23,25,27,29,31,33,35,39,41,43,45,47,49,51(56)-hexacosaene;titanium(2+)

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: (2Z,40Z)-2,15,28,41,54,56-hexaza-53,55-diazanidatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1(52),2,4,6,8,10,12,14(56),15,17,19,21,23,25,27,29(54),30,32,34,36,38,40,44,46,48,50-hexacosaene;(25Z,39Z)-54-hydroxy-13,26,39,52,53,55,56,57-octaza-54-gallatetradecacyclo[25.25.3.114,25.140,51.02,11.04,9.012,53.015,24.017,22.028,37.030,35.038,55.041,50.043,48]heptapentaconta-1(52),2,4,6,8,10,12,14(57),15,17,19,21,23,25,27,29,31,33,35,39,41,43,45,47,49,51(56)-hexacosaene;titanium(2+)
• 化学式: C96H53GaN16OTi
• 分子量: 1564.1
• InChiKey: YDZNTGNDSCDZMD-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  12.09
• 重原子数：
  115
• 可旋转键数：
  0
• 环数：
  27.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  177
• 氢给体数：
  1
• 氢受体数：
  8