Basic information
- CAS
60037-63-0- Standard SMILES
Oc1ccccc1N=Nc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1- InChIKey
ATEQMZYYZRYXHI-UHFFFAOYSA-N- Molecular formula
- C21H16N4O
- Average molar mass
- 340.4 g/mol
- Monoisotopic mass
- 340.13241115
Names & identifiers
- Preferred name
- 2-[(4,5-diphenyl-1H-imidazol-2-yl)diazenyl]phenol
- IUPAC
- 2-[(4,5-diphenyl-1H-imidazol-2-yl)diazenyl]phenol
- English name
- 2-[(4,5-diphenyl-1H-imidazol-2-yl)diazenyl]phenol
- Molecular formula
- C21H16N4O
- Molecular weight
- 340.38
Names & synonyms
60037-63-02-[(4,5-diphenyl-1H-imidazol-2-yl)diazenyl]phenolPhenol, 2-[(4,5-diphenyl-1H-imidazol-2-yl)azo]-SMR000161844MLS000539833CHEMBL1332139(E)-2-((4,5-Diphenyl-1H-imidazol-2-yl)diazenyl)phenolDTXSID504255672-[(2-hydroxyphenyl)azo]-4,5-diphenylimidazoleAE-848/369590486-[2-(4,5-Diphenyl-1H-imidazol-2-yl)hydrazinylidene]cyclohexa-2,4-dien-1-one
Database identifiers
- CAS
60037-63-0- PubChem CID
- 4100469
- DTXSID
DTXSID50425567- ChEMBL
CHEMBL1332139- Nikkaji
- J889.646A
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 73.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 459
Physicochemical properties
- Boiling point
- 561.882 · 561.882±52.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.249 · 1.249±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 8.873 · 8.873±0.35(predicted)
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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