1,2,6-Trimethyl-3,5-diphenylpyridin-4-one
Basic information
- CAS
42215-29-2- Standard SMILES
Cc1c(-c2ccccc2)c(=O)c(-c2ccccc2)c(C)n1C- InChIKey
SQJRILFFLWFHGB-UHFFFAOYSA-N- Molecular formula
- C20H19NO
- Average molar mass
- 289.4 g/mol
- Monoisotopic mass
- 289.14666423
Names & identifiers
- Preferred name
- 1,2,6-Trimethyl-3,5-diphenylpyridin-4-one
- IUPAC
- 1,2,6-trimethyl-3,5-diphenylpyridin-4-one
- English name
- 1,2,6-Trimethyl-3,5-diphenyl-4(1H)-pyridinone
- Molecular formula
- C20H19NO
- Molecular weight
- 289.37
Names & synonyms
1,2,6-trimethyl-3,5-diphenylpyridin-4-one42215-29-2DTXSID10347776RefChem:215410DTXCID402988481,2,6-Trimethyl-3,5-diphenyl-4(1H)-pyridinone4(1H)-Pyridinone, 1,2,6-trimethyl-3,5-diphenyl-SCHEMBL11429710SQJRILFFLWFHGB-UHFFFAOYSA-N1,2,6-Trimethyl-3,5-diphenylpyridin-4(1H)-one1,2,6-Trimethyl-3,5-diphenyl-4(1H)-pyridinone #
Database identifiers
- CAS
42215-29-2- PubChem CID
- 625686
- DTXSID
DTXSID10347776- Nikkaji
- J140.855K
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 458
Physicochemical properties
- Boiling point
- 452.9 · 452.9±45.0 °C(Predicted)
- Density
- 1.109 · 1.109±0.06 g/cm3(Predicted)
- pka
- 2.53 · 2.53±0.10(Predicted)
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Compound notes
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