Basic information
- CAS
5167-31-7- Standard SMILES
O=C1C(c2ccccc2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1- InChIKey
WZQPYEJQKDEYJQ-UHFFFAOYSA-N- Molecular formula
- C22H16N2O3
- Average molar mass
- 356.4 g/mol
- Monoisotopic mass
- 356.11609238
Names & identifiers
- Preferred name
- Barbituric acid, 1,3,5-triphenyl-
- IUPAC
- 1,3,5-triphenyl-1,3-diazinane-2,4,6-trione
- English name
- 1,3,5-Triphenylbarbituric acid
- Molecular formula
- C22H16N2O3
- Molecular weight
- 356.37
Names & synonyms
Barbituric acid, 1,3,5-triphenyl-5167-31-71,3,5-Triphenylbarbituric acidBRN 06263771,3,5-Triphenyl-2,4,6(1H,3H,5H)-pyrimidinetrione2,4,6(1H,3H,5H)-Pyrimidinetrione, 1,3,5-triphenyl-DTXSID801996035-24-09-00277 (Beilstein Handbook Reference)RefChem:320593DTXCID001220942,4,6(1H,3H,5H)-Pyrimidinetrione, 1,3,5-triphenyl-(9CI)1,3,5-triphenyl-1,3-diazinane-2,4,6-trione
Show more names
1,3,5-tri(phenyl)-1,3-diazinane-2,4,6-trione2-oxo-1,3,5-triphenylhexahydropyrimidine-4,6-dione
CDS1_000750Maybridge1_005502Oprea1_364522DivK1c_0017901,3,5-Triphenylpyrimidine-2,4,6(1H,3H,5H)-trioneSCHEMBL1639999HMS557C02CCG-47893
Database identifiers
- CAS
5167-31-7- PubChem CID
- 199868
- DTXSID
DTXSID80199603- Nikkaji
- J54.598H
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 57.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 532
Physicochemical properties
- Melting point
- 266 °C · 266 °C
- Boiling point
- 514.6 · 514.6±53.0 °C(Predicted)
- Density
- 1.316 · 1.316±0.06 g/cm3(Predicted)
- pka
- 4.41 · 4.41±0.20(Predicted)
Chemistry & industry
Suppliers4 total
郑州萃智医药科技有限公司19943855286 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
上海药克生物科技有限公司19943855286 · [email protected]
上海玉函化工有限公司021-61469567 13774476675 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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