2-Naphthalenecarboxamide, 4,4'-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis(2,1-diazenediyl)]bis[3-hydroxy-N-phenyl-
Basic information
- CAS
10127-03-4- Standard SMILES
COc1cc(-c2ccc(N=Nc3c(O)c(C(=O)Nc4ccccc4)cc4ccccc34)c(OC)c2)ccc1N=Nc1c(O)c(C(=O)Nc2ccccc2)cc2ccccc12- InChIKey
FUWKVWMULKARSR-UHFFFAOYSA-N- Molecular formula
- C48H36N6O6
- Average molar mass
- 792.8 g/mol
- Monoisotopic mass
- 792.26963289
Names & identifiers
- Preferred name
- 2-Naphthalenecarboxamide, 4,4'-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis(2,1-diazenediyl)]bis[3-hydroxy-N-phenyl-
- IUPAC
- 3-hydroxy-4-[[4-[4-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]-N-phenylnaphthalene-2-carboxamide
- English name
- 4,4'-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[3-hydroxy-N-phenylnaphthalene-2-carboxamide]
- Molecular formula
- C48H36N6O6
- Molecular weight
- 792.84
Names & synonyms
EINECS 233-354-12-Naphthalenecarboxamide, 4,4'-((3,3'-dimethoxy(1,1'-biphenyl)-4,4'-diyl)bis(2,1-diazenediyl))bis(3-hydroxy-N-phenyl-2-Naphthalenecarboxamide, 4,4'-((3,3'-dimethoxy(1,1'-biphenyl)-4,4'-diyl)bis(azo))bis(3-hydroxy-N-phenyl-4,4'-((3,3'-Dimethoxy(1,1'-biphenyl)-4,4'-diyl)bis(azo))bis(3-hydroxy-N-phenylnaphthalene-2-carboxamide)4,4'-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[3-hydroxy-N-phenylnaphthalene-2-carboxamide]2-Naphthalenecarboxamide, 4,4'-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis(2,1-diazenediyl)]bis[3-hydroxy-N-phenyl-2-Naphthalenecarboxamide, 4,4'-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[3-hydroxy-N-phenyl-RefChem:476439233-354-110127-03-43-Hydroxy-4-[[4-[4-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]-N-phenylnaphthalene-2-carboxamideDTXSID6064957
Show more names
C.I.21180Pigment blue 25
Properties
Computed structural properties
- XLogP
- 11.6
- Topological polar surface area
- 167 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 11
- Heavy atoms
- 60
- Formal charge
- 0
- Complexity
- 1,350
Physicochemical properties
- Boiling point
- 927.4 · 927.4±65.0 °C(Predicted)
- Density
- 1.31 · 1.31±0.1 g/cm3(Predicted)
- pka
- 10.44 · 10.44±0.50(Predicted)
- EPA Substance Registry System
- 2 · 2-Naphthalenecarboxamide, 4,4'-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[3-hydroxy-N-phenyl- (10127-03-4)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS ClassificationNot Classified
Hazard information
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Naphthalenecarboxamide, 4,4'-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis(2,1-diazenediyl)]bis[3-hydroxy-N-phenyl-: ACTIVE
Related reactions
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Compound notes
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