1,3'-Bipyridinium, 5'-(2-(4-((4-(2-(1',2'-dihydro-6'-hydroxy-3,4'-dimethyl-2'-oxo(1,3'-bipyridinium)-5'-yl)diazenyl)benzoyl)amino)phenyl)diazenyl)-1',2'-dihydro-6'-hydroxy-3,4'-dimethyl-2'-oxo-, 2-hydroxypropanoate (1:2)
基本情報
- CAS
75214-63-0- 標準SMILES
Cc1ccc[n+](-c2c(C)c(N=Nc3ccc(NC(=O)c4ccc(N=Nc5c(O)[nH]c(=O)c(-[n+]6cccc(C)c6)c5C)cc4)cc3)c(O)[nH]c2=O)c1- InChIKey
VJYLBTHFOUXYEO-UHFFFAOYSA-P- 分子式
- C37H33N9O5+2
- 平均分子量
- 683.7 g/mol
- 単同位体質量
- 683.26046519
概要
See other relationships...
名称と識別子
- 優先名称
- 1,3'-Bipyridinium, 5'-(2-(4-((4-(2-(1',2'-dihydro-6'-hydroxy-3,4'-dimethyl-2'-oxo(1,3'-bipyridinium)-5'-yl)diazenyl)benzoyl)amino)phenyl)diazenyl)-1',2'-dihydro-6'-hydroxy-3,4'-dimethyl-2'-oxo-, 2-hydroxypropanoate (1:2)
- IUPAC
- 4-[[2-hydroxy-4-methyl-5-(3-methylpyridin-1-ium-1-yl)-6-oxo-1H-pyridin-3-yl]diazenyl]-N-[4-[[2-hydroxy-4-methyl-5-(3-methylpyridin-1-ium-1-yl)-6-oxo-1H-pyridin-3-yl]diazenyl]phenyl]benzamide
名称と別名
EINECS 278-130-41,3'-Bipyridinium, 5'-(2-(4-((4-(2-(1',6'-dihydro-2'-hydroxy-3,4'-dimethyl-6'-oxo(1,3'-bipyridinium)-5'-yl)diazenyl)benzoyl)amino)phenyl)diazenyl)-1',6'-dihydro-2'-hydroxy-3,4'-dimethyl-6'-oxo-, 2-hydroxypropanoate (1:2)Pyridinium, 1,1'-((iminocarbonyl)bis(4,1-phenylene)bis(azo)bis(1,2-dihydro-6-hydroxy-4-methyl-2-oxo-3,5-pyridinediyl))bis(3-methyl-, bis(lactate)1,3'-Bipyridinium, 5'-(2-(4-((4-(2-(1',2'-dihydro-6'-hydroxy-3,4'-dimethyl-2'-oxo(1,3'-bipyridinium)-5'-yl)diazenyl)benzoyl)amino)phenyl)diazenyl)-1',2'-dihydro-6'-hydroxy-3,4'-dimethyl-2'-oxo-, 2-hydroxypropanoate (1:2)1,3'-Bipyridinium, 5'-[2-[4-[[4-[2-(1',2'-dihydro-6'-hydroxy-3,4'-dimethyl-2'-oxo[1,3'-bipyridinium]-5'-yl)diazenyl]benzoyl]amino]phenyl]diazenyl]-1',2'-dihydro-6'-hydroxy-3,4'-dimethyl-2'-oxo-, 2-hydroxypropanoate (1:2)1,3'-Bipyridinium, 5'-[2-[4-[[4-[2-(1',6'-dihydro-2'-hydroxy-3,4'-dimethyl-6'-oxo[1,3'-bipyridinium]-5'-yl)diazenyl]benzoyl]amino]phenyl]diazenyl]-1',6'-dihydro-2'-hydroxy-3,4'-dimethyl-6'-oxo-, 2-hydroxypropanoate (1:2)RefChem:41226375214-63-0
データベース識別子
物性
構造計算による物性
- XLogP
- 4.4
- 極性表面積
- 185 Ų
- 水素結合供与体数
- 5
- 水素結合受容体数
- 9
- 回転可能結合数
- 8
- 重原子数
- 51
- 形式電荷
- 2
- 複雑度
- 1,560
化学と産業
用途と製造
General Manufacturing Information1,3'-Bipyridinium, 5'-[2-[4-[[4-[2-(1',6'-dihydro-2'-hydroxy-3,4'-dimethyl-6'-oxo[1,3'-bipyridinium]-5'-yl)diazenyl]benzoyl]amino]phenyl]diazenyl]-1',6'-dihydro-2'-hydroxy-3,4'-dimethyl-6'-oxo-, 2-hydroxypropanoate (1:2): ACTIVE
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