N,N'-(2,5-二甲基-1,4-亚苯基)二 [4-[(5-氯-2-甲基苯基)偶氮]-3-羟 基]-2-萘甲酰胺
2-Naphthalenecarboxamide, N,N'-(2,5-dimethyl-1,4-phenylene)bis[4-[2-(5-chloro-2-methylphenyl)diazenyl]-3-hydroxy- · CAS 79665-24-0
- 中文名
- N,N'-(2,5-二甲基-1,4-亚苯基)二 [4-[(5-氯-2-甲基苯基)偶氮]-3-羟 基]-2-萘甲酰胺
- 中文别名
- 暂无
- 英文名
- 2-Naphthalenecarboxamide, N,N'-(2,5-dimethyl-1,4-phenylene)bis[4-[2-(5-chloro-2-methylphenyl)diazenyl]-3-hydroxy-
- CAS
- 79665-24-0
- CID
- 174176
- IUPAC 名称
- 4-[(5-chloro-2-methylphenyl)diazenyl]-N-[4-[[4-[(5-chloro-2-methylphenyl)diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]-2,5-dimethylphenyl]-3-hydroxynaphthalene-2-carboxamide
名称与编号
- 中文名
- N,N'-(2,5-二甲基-1,4-亚苯基)二 [4-[(5-氯-2-甲基苯基)偶氮]-3-羟 基]-2-萘甲酰胺
- 中文别名
- 暂无
- 英文名
- 2-Naphthalenecarboxamide, N,N'-(2,5-dimethyl-1,4-phenylene)bis[4-[2-(5-chloro-2-methylphenyl)diazenyl]-3-hydroxy-
- CAS
- 79665-24-0
- CID
- 174176
- IUPAC 名称
- 4-[(5-chloro-2-methylphenyl)diazenyl]-N-[4-[[4-[(5-chloro-2-methylphenyl)diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]-2,5-dimethylphenyl]-3-hydroxynaphthalene-2-carboxamide
分子属性
- 分子式
- C44H34Cl2N6O4
- 分子量
- 781.7 g/mol
- 精确质量
- 780.201859 Da
- 单同位素质量
- 780.201859 Da
- XLogP
- 12.8
- 极性表面积
- 148 Ų
- 氢键供体
- 4
- 氢键受体
- 8
- 可旋转键
- 8
- 重原子数
- 56
- 净电荷
- 0
- 结构复杂度
- 1300
结构标识
- InChIKey
- RUASBGDJNNJFOJ-UHFFFAOYSA-N
- SMILES
- CC1=C(C=C(C=C1)Cl)N=NC2=C(C(=CC3=CC=CC=C32)C(=O)NC4=CC(=C(C=C4C)NC(=O)C5=CC6=CC=CC=C6C(=C5O)N=NC7=C(C=CC(=C7)Cl)C)C)O
- InChI
- InChI=1S/C44H34Cl2N6O4/c1-23-13-15-29(45)21-37(23)49-51-39-31-11-7-5-9-27(31)19-33(41(39)53)43(55)47-35-17-26(4)36(18-25(35)3)48-44(56)34-20-28-10-6-8-12-32(28)40(42(34)54)52-50-38-22-30(46)16-14-24(38)2/h5-22,53-54H,1-4H3,(H,47,55)(H,48,56)