6,13-Dimethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;15,19,34,38,42,44-hexabromo-11,30-dimethyl-11,30-diazatridecacyclo[22.14.2.22,5.26,9.225,28.03,20.04,17.07,16.08,13.021,39.026,35.027,32.036,40]hexatetraconta-1(38),2,4,6(44),7,9(43),13,15,17,19,21(39),22,24(40),25(42),26,28(41),32,34,36,45-icosaene-10,12,29,31-tetrone

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 英文名称: 6,13-Dimethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;15,19,34,38,42,44-hexabromo-11,30-dimethyl-11,30-diazatridecacyclo[22.14.2.22,5.26,9.225,28.03,20.04,17.07,16.08,13.021,39.026,35.027,32.036,40]hexatetraconta-1(38),2,4,6(44),7,9(43),13,15,17,19,21(39),22,24(40),25(42),26,28(41),32,34,36,45-icosaene-10,12,29,31-tetrone
• 英文别名: 6,13-dimethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;15,19,34,38,42,44-hexabromo-11,30-dimethyl-11,30-diazatridecacyclo[22.14.2.22,5.26,9.225,28.03,20.04,17.07,16.08,13.021,39.026,35.027,32.036,40]hexatetraconta-1(38),2,4,6(44),7,9(43),13,15,17,19,21(39),22,24(40),25(42),26,28(41),32,34,36,45-icosaene-10,12,29,31-tetrone
• 化学式: C94H46Br6N8O16
• 分子量: 2022.8
• InChiKey: BHYQERPBOSXMJW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  18.43
• 重原子数：
  124
• 可旋转键数：
  0
• 环数：
  25.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  299
• 氢给体数：
  0
• 氢受体数：
  16