14-Methyl-5-pyridin-3-yl-3-oxa-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaene;14-methyl-5-pyridin-4-yl-3-oxa-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaene;10-oxa-12-azoniapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2,4,6,8,12,14,16(20),17-nonaene;15-phenyl-17-oxa-1-azoniapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2,4,6,8,10,12(20),13,15-nonaene

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 14-Methyl-5-pyridin-3-yl-3-oxa-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaene;14-methyl-5-pyridin-4-yl-3-oxa-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaene;10-oxa-12-azoniapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2,4,6,8,12,14,16(20),17-nonaene;15-phenyl-17-oxa-1-azoniapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2,4,6,8,10,12(20),13,15-nonaene
• 英文别名: 14-methyl-5-pyridin-3-yl-3-oxa-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaene;14-methyl-5-pyridin-4-yl-3-oxa-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaene;10-oxa-12-azoniapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2,4,6,8,12,14,16(20),17-nonaene;15-phenyl-17-oxa-1-azoniapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2,4,6,8,10,12(20),13,15-nonaene
• 化学式: C82H58N6O4+4
• 分子量: 1191.4
• InChiKey: WZVHSVQDWNJRCE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  17.24
• 重原子数：
  92
• 可旋转键数：
  3
• 环数：
  21.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  78.2
• 氢给体数：
  0
• 氢受体数：
  6