N,N'-(5,12,17,18,23,24-六氢 -5,12,17,24-四氧代二萘并 [2,3-i:2',3'-i]茚并 [7,1-ab:3,2-b']二咔唑-6,11-二基) 双苯甲酰胺
N,N'-(5,12,17,18,23,24-hexahydro-5,12,17,24-tetraoxodinaphth(2,3-i:2',3'-i')indeno(7,1-ab:3,2-b')dicarbazole-6,11-diyl)bis(benzamide) · CAS 97337-97-8
- 中文名
- N,N'-(5,12,17,18,23,24-六氢 -5,12,17,24-四氧代二萘并 [2,3-i:2',3'-i]茚并 [7,1-ab:3,2-b']二咔唑-6,11-二基) 双苯甲酰胺
- 中文别名
- 暂无
- 英文名
- N,N'-(5,12,17,18,23,24-hexahydro-5,12,17,24-tetraoxodinaphth(2,3-i:2',3'-i')indeno(7,1-ab:3,2-b')dicarbazole-6,11-diyl)bis(benzamide)
- CAS
- 97337-97-8
- CID
- 57357056
- IUPAC 名称
- N-(6-benzamido-8,15,31,38-tetraoxo-18,28-diazadodecacyclo[22.21.1.03,19.04,17.07,16.09,14.020,46.025,45.027,43.029,42.030,39.032,37]hexatetraconta-1(46),2,4,6,9,11,13,16,19,21,23,25(45),26,29,32,34,36,39,41,43-icosaen-40-yl)benzamide
名称与编号
- 中文名
- N,N'-(5,12,17,18,23,24-六氢 -5,12,17,24-四氧代二萘并 [2,3-i:2',3'-i]茚并 [7,1-ab:3,2-b']二咔唑-6,11-二基) 双苯甲酰胺
- 中文别名
- 暂无
- 英文名
- N,N'-(5,12,17,18,23,24-hexahydro-5,12,17,24-tetraoxodinaphth(2,3-i:2',3'-i')indeno(7,1-ab:3,2-b')dicarbazole-6,11-diyl)bis(benzamide)
- CAS
- 97337-97-8
- CID
- 57357056
- IUPAC 名称
- N-(6-benzamido-8,15,31,38-tetraoxo-18,28-diazadodecacyclo[22.21.1.03,19.04,17.07,16.09,14.020,46.025,45.027,43.029,42.030,39.032,37]hexatetraconta-1(46),2,4,6,9,11,13,16,19,21,23,25(45),26,29,32,34,36,39,41,43-icosaen-40-yl)benzamide
分子属性
- 分子式
- C58H30N4O6
- 分子量
- 878.9 g/mol
- 精确质量
- 878.21653469 Da
- 单同位素质量
- 878.21653469 Da
- XLogP
- 12.1
- 极性表面积
- 158 Ų
- 氢键供体
- 4
- 氢键受体
- 6
- 可旋转键
- 4
- 重原子数
- 68
- 净电荷
- 0
- 结构复杂度
- 2080
结构标识
- InChIKey
- ZAFIQEQELBZEOE-UHFFFAOYSA-N
- SMILES
- C1=CC=C(C=C1)C(=O)NC2=C3C(=C4C(=C2)C5=CC6=C(C=C5N4)C7=CC=CC8=C9C(=CC6=C87)C1=CC(=C2C(=C1N9)C(=O)C1=CC=CC=C1C2=O)NC(=O)C1=CC=CC=C1)C(=O)C1=CC=CC=C1C3=O
- InChI
- InChI=1S/C58H30N4O6/c63-53-30-16-7-9-18-32(30)55(65)48-46(53)43(60-57(67)27-12-3-1-4-13-27)25-40-37-22-35-36(24-42(37)59-51(40)48)29-20-11-21-34-45(29)38(35)23-39-41-26-44(61-58(68)28-14-5-2-6-15-28)47-49(52(41)62-50(34)39)56(66)33-19-10-8-17-31(33)54(47)64/h1-26,59,62H,(H,60,67)(H,61,68)