Basic information
- CAS
6528-35-4- Standard SMILES
COc1cc(-c2cc(OC)c(N=NC(C(C)=O)C(=O)Nc3ccc(C)cc3C)cc2Cl)c(Cl)cc1N=NC(C(C)=O)C(=O)Nc1ccc(C)cc1C- InChIKey
KRPQDDJZFZZVMZ-UHFFFAOYSA-N- Molecular formula
- C38H38Cl2N6O6
- Average molar mass
- 745.6 g/mol
- Monoisotopic mass
- 744.2229883
Names & identifiers
- Preferred name
- 2,2'-((2,2'-Dichloro-5,5'-dimethoxy(1,1'-biphenyl)-4,4'-diyl)bis(azo))bis(N-(2,4-dimethylphenyl)-3-oxobutyramide)
- IUPAC
- 2-[[5-chloro-4-[2-chloro-4-[[1-(2,4-dimethylanilino)-1,3-dioxobutan-2-yl]diazenyl]-5-methoxyphenyl]-2-methoxyphenyl]diazenyl]-N-(2,4-dimethylphenyl)-3-oxobutanamide
- English name
- 2,2'-[(2,2'-dichloro-5,5'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[N-(2,4-dimethylphenyl)-3-oxobutyramide]
- Molecular formula
- C38H38Cl2N6O6
- Molecular weight
- 745.65
Names & synonyms
6528-35-4EINECS 229-420-42,2'-((2,2'-Dichloro-5,5'-dimethoxy(1,1'-biphenyl)-4,4'-diyl)bis(azo))bis(N-(2,4-dimethylphenyl)-3-oxobutyramide)KRPQDDJZFZZVMZ-UHFFFAOYSA-NDTXSID601316501NS000473762,2'-[(2,2'-Dichloro-5,5'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis(diazene-2,1-diyl)]bis[N-(2,4-dimethylphenyl)-3-oxobutanamide]C.I.21220Pigment Yellow 15C.I.Pigment Yellow 152,2'-[(2,2'-Dichloro-5,5'-dimethoxy-1,1'-biphenyl-4,4'-diyl)bis(azo)]bis[N-(2,4-dimethylphenyl)-3-oxobutanamide]2,2'-[(2,2'-dichloro-5,5'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[N-(2,4-dimethylphenyl)-3-oxobutyramide]
Show more names
Butanamide, 2,2'-[(2,2'-dichloro-5,5'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis(2,1-diazenediyl)]bis[N-(2,4-dimethylphenyl)-3-oxo-2-[[5-chloro-4-[2-chloro-4-[[1-(2,4-dimethylanilino)-1,3-dioxobutan-2-yl]diazenyl]-5-methoxyphenyl]-2-methoxyphenyl]diazenyl]-N-(2,4-dimethylphenyl)-3-oxobutanamide
Properties
Computed structural properties
- XLogP
- 9.5
- Topological polar surface area
- 160 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 13
- Heavy atoms
- 52
- Formal charge
- 0
- Complexity
- 1,210
Physicochemical properties
- Boiling point
- 830.8 · 830.8±65.0 °C(Predicted)
- Density
- 1.3 · 1.30±0.1 g/cm3(Predicted)
- pka
- 0.38 · 0.38±0.59(Predicted)
Chemistry & industry
Suppliers1 total
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Related reactions
0 records
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Compound notes
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