Basic information
- CAS
72927-73-2- Standard SMILES
O=C(Nc1ccc(NC(=O)c2cc3ccccc3c(N=Nc3cc(Cl)ccc3Cl)c2O)cc1)c1ccc(NC(=O)c2cc3ccccc3c(N=Nc3cc(Cl)ccc3Cl)c2O)cc1- InChIKey
KBJVUVWQWIQQPG-UHFFFAOYSA-N- Molecular formula
- C47H29Cl4N7O5
- Average molar mass
- 913.6 g/mol
- Monoisotopic mass
- 911.098428
Names & identifiers
- Preferred name
- 2-Naphthalenecarboxamide, 4-(2-(2,5-dichlorophenyl)diazenyl)-N-(4-((4-(((4-(2-(2,5-dichlorophenyl)diazenyl)-3-hydroxy-2-naphthalenyl)carbonyl)amino)benzoyl)amino)phenyl)-3-hydroxy-
- IUPAC
- 4-[(2,5-dichlorophenyl)diazenyl]-N-[4-[[4-[[4-[(2,5-dichlorophenyl)diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]phenyl]carbamoyl]phenyl]-3-hydroxynaphthalene-2-carboxamide
- English name
- 4-[(2,5-dichlorophenyl)azo]-N-[4-[[4-[[[4-[(2,5-dichlorophenyl)azo]-3-hydroxy-2-naphthyl]carbonyl]amino]benzoyl]amino]phenyl]-3-hydroxynaphthalene-2-carboxamide
- Molecular formula
- C47H29Cl4N7O5
- Molecular weight
- 913.59
Names & synonyms
EINECS 277-021-92-Naphthalenecarboxamide, 4-[(2,5-dichlorophenyl)azo]-N-[4-[[4-[[[4-[(2,5-dichlorophenyl)azo]-3-hydroxy-2-naphthalenyl]carbonyl]amino]benzoyl]amino]phenyl]-3-hydroxy-2-Naphthalenecarboxamide, 4-((2,5-dichlorophenyl)azo)-N-(4-((4-(((4-((2,5-dichlorophenyl)azo)-3-hydroxy-2-naphthalenyl)carbonyl)amino)benzoyl)amino)phenyl)-3-hydroxy-2-Naphthalenecarboxamide, 4-(2-(2,5-dichlorophenyl)diazenyl)-N-(4-((4-(((4-(2-(2,5-dichlorophenyl)diazenyl)-3-hydroxy-2-naphthalenyl)carbonyl)amino)benzoyl)amino)phenyl)-3-hydroxy-2-Naphthalenecarboxamide, 4-[2-(2,5-dichlorophenyl)diazenyl]-N-[4-[[4-[[[4-[2-(2,5-dichlorophenyl)diazenyl]-3-hydroxy-2-naphthalenyl]carbonyl]amino]benzoyl]amino]phenyl]-3-hydroxy-4-((2,5-Dichlorophenyl)azo)-N-(4-(((4-(((4-((2,5-dichlorophenyl)azo)-3-hydroxy-2-naphthalenyl)carbonyl)amino)phenyl)amino)carbonyl)phenyl)-3-hydroxy-2-naphthalenecarboxamideRefChem:47645872927-73-2MK7EA3A75QDTXSID9072650
Properties
Computed structural properties
- XLogP
- 13.4
- Topological polar surface area
- 177 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 10
- Heavy atoms
- 63
- Formal charge
- 0
- Complexity
- 1,610
Physicochemical properties
- Boiling point
- 940.938 · 940.938±65.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.486 · 1.486±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 11.406 · 11.406±0.70(predicted)
- EPA Substance Registry System
- 2 · 2-Naphthalenecarboxamide, 4-[(2,5-dichlorophenyl)azo]-N-[4-[[4-[[[4-[(2,5-dichlorophenyl)azo]-3-hydroxy-2-naphthalenyl]carbonyl]amino]benzoyl]amino]phenyl]-3-hydroxy- (72927-73-2)
- 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.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Naphthalenecarboxamide, 4-[2-(2,5-dichlorophenyl)diazenyl]-N-[4-[[4-[[[4-[2-(2,5-dichlorophenyl)diazenyl]-3-hydroxy-2-naphthalenyl]carbonyl]amino]benzoyl]amino]phenyl]-3-hydroxy-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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