C.I.颜料红218

2-Naphthalenecarboxamide, 4-[2-(3-chloro-2-methylphenyl)diazenyl]-N-[4-[[4-[[[4-[2-(3-chloro-2-methylphenyl)diazenyl]-3-hydroxy-2-naphthalenyl]carbonyl]amino]benzoyl]amino]phenyl]-3-hydroxy- · CAS 56418-72-5

中文名: C.I.颜料红218
中文别名: 暂无
英文名: 2-Naphthalenecarboxamide, 4-[2-(3-chloro-2-methylphenyl)diazenyl]-N-[4-[[4-[[[4-[2-(3-chloro-2-methylphenyl)diazenyl]-3-hydroxy-2-naphthalenyl]carbonyl]amino]benzoyl]amino]phenyl]-3-hydroxy-
CAS: 56418-72-5
CID: 171520
IUPAC 名称: 4-[(3-chloro-2-methylphenyl)diazenyl]-N-[4-[[4-[[4-[(3-chloro-2-methylphenyl)diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]phenyl]carbamoyl]phenyl]-3-hydroxynaphthalene-2-carboxamide

名称与编号

中文名: C.I.颜料红218
中文别名: 暂无
英文名: 2-Naphthalenecarboxamide, 4-[2-(3-chloro-2-methylphenyl)diazenyl]-N-[4-[[4-[[[4-[2-(3-chloro-2-methylphenyl)diazenyl]-3-hydroxy-2-naphthalenyl]carbonyl]amino]benzoyl]amino]phenyl]-3-hydroxy-
CAS: 56418-72-5
CID: 171520
IUPAC 名称: 4-[(3-chloro-2-methylphenyl)diazenyl]-N-[4-[[4-[[4-[(3-chloro-2-methylphenyl)diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]phenyl]carbamoyl]phenyl]-3-hydroxynaphthalene-2-carboxamide

分子属性

分子式: C49H35Cl2N7O5
分子量: 872.7 g/mol
精确质量: 871.2076726 Da
单同位素质量: 871.2076726 Da
XLogP: 12.9
极性表面积: 177 Å²
氢键供体: 5
氢键受体: 9
可旋转键: 10
重原子数: 63
净电荷: 0
结构复杂度: 1610

结构标识

InChIKey: JEHUFDCZTMGLEA-UHFFFAOYSA-N
SMILES: CC1=C(C=CC=C1Cl)N=NC2=C(C(=CC3=CC=CC=C32)C(=O)NC4=CC=C(C=C4)C(=O)NC5=CC=C(C=C5)NC(=O)C6=CC7=CC=CC=C7C(=C6O)N=NC8=C(C(=CC=C8)Cl)C)O
InChI: InChI=1S/C49H35Cl2N7O5/c1-27-39(50)13-7-15-41(27)55-57-43-35-11-5-3-9-30(35)25-37(45(43)59)48(62)53-32-19-17-29(18-20-32)47(61)52-33-21-23-34(24-22-33)54-49(63)38-26-31-10-4-6-12-36(31)44(46(38)60)58-56-42-16-8-14-40(51)28(42)2/h3-26,59-60H,1-2H3,(H,52,61)(H,53,62)(H,54,63)