N-(5,6,12,17,18,24-六氢 -5,12,17,24-四氧二萘并 [2,3-i:2',3'-i']茚并 [4,3-ab:2,1-c']二咔唑23-基)苯甲 酰胺
Benzamide, N-(5,6,12,17,18,24-hexahydro-5,12,17,24-tetraoxodinaphth[2,3-i:2a(2),3a(2)-ia(2)]indeno[4,3-ab:2,1-ca(2)]dicarbazol-23-yl)- · CAS 61902-46-3
- 中文名
- N-(5,6,12,17,18,24-六氢 -5,12,17,24-四氧二萘并 [2,3-i:2',3'-i']茚并 [4,3-ab:2,1-c']二咔唑23-基)苯甲 酰胺
- 中文别名
- 暂无
- 英文名
- Benzamide, N-(5,6,12,17,18,24-hexahydro-5,12,17,24-tetraoxodinaphth[2,3-i:2a(2),3a(2)-ia(2)]indeno[4,3-ab:2,1-ca(2)]dicarbazol-23-yl)-
- CAS
- 61902-46-3
- CID
- 101010759
- IUPAC 名称
- N-(8,15,31,38-tetraoxo-18,41-diazadodecacyclo[22.21.1.03,19.04,17.07,16.09,14.020,46.025,45.026,42.027,40.030,39.032,37]hexatetraconta-1(46),2,4(17),5,7(16),9,11,13,19,21,23,25(45),26(42),27,29,32,34,36,39,43-icosaen-29-yl)benzamide
名称与编号
- 中文名
- N-(5,6,12,17,18,24-六氢 -5,12,17,24-四氧二萘并 [2,3-i:2',3'-i']茚并 [4,3-ab:2,1-c']二咔唑23-基)苯甲 酰胺
- 中文别名
- 暂无
- 英文名
- Benzamide, N-(5,6,12,17,18,24-hexahydro-5,12,17,24-tetraoxodinaphth[2,3-i:2a(2),3a(2)-ia(2)]indeno[4,3-ab:2,1-ca(2)]dicarbazol-23-yl)-
- CAS
- 61902-46-3
- CID
- 101010759
- IUPAC 名称
- N-(8,15,31,38-tetraoxo-18,41-diazadodecacyclo[22.21.1.03,19.04,17.07,16.09,14.020,46.025,45.026,42.027,40.030,39.032,37]hexatetraconta-1(46),2,4(17),5,7(16),9,11,13,19,21,23,25(45),26(42),27,29,32,34,36,39,43-icosaen-29-yl)benzamide
分子属性
- 分子式
- C51H25N3O5
- 分子量
- 759.8 g/mol
- 精确质量
- 759.17942091 Da
- 单同位素质量
- 759.17942091 Da
- XLogP
- 10.7
- 极性表面积
- 129 Ų
- 氢键供体
- 3
- 氢键受体
- 5
- 可旋转键
- 2
- 重原子数
- 59
- 净电荷
- 0
- 结构复杂度
- 1790
结构标识
- InChIKey
- JHFBPMVXWTZGHT-UHFFFAOYSA-N
- SMILES
- C1=CC=C(C=C1)C(=O)NC2=C3C(=C4C(=C2)C5=C(N4)C=CC6=C5C7=CC=CC8=C9C(=CC6=C87)C1=C(N9)C2=C(C=C1)C(=O)C1=CC=CC=C1C2=O)C(=O)C1=CC=CC=C1C3=O
- InChI
- InChI=1S/C51H25N3O5/c55-47-26-11-4-5-12-27(26)48(56)41-32(47)18-17-25-34-21-33-24-19-20-36-40(39(24)30-15-8-16-31(38(30)33)44(34)54-45(25)41)35-22-37(53-51(59)23-9-2-1-3-10-23)42-43(46(35)52-36)50(58)29-14-7-6-13-28(29)49(42)57/h1-22,52,54H,(H,53,59)