1,5-Diphenyl-3-(2-pyridinyl)-1,5-pentanedione
Basic information
- CAS
5337-48-4- Standard SMILES
O=C(CC(CC(=O)c1ccccc1)c1ccccn1)c1ccccc1- InChIKey
ZQXGBLSJLHFSOS-UHFFFAOYSA-N- Molecular formula
- C22H19NO2
- Average molar mass
- 329.4 g/mol
- Monoisotopic mass
- 329.14157885
Names & identifiers
- Preferred name
- 1,5-Diphenyl-3-(2-pyridinyl)-1,5-pentanedione
- IUPAC
- 1,5-diphenyl-3-pyridin-2-ylpentane-1,5-dione
Names & synonyms
5337-48-41,5-diphenyl-3-(2-pyridinyl)-1,5-pentanedioneRefChem:1053459MLS0026375321,5-diphenyl-3-(pyridin-2-yl)pentane-1,5-dioneNSC793HMS3079A071,5-diphenyl-3-(2-pyridyl)pentane-1,5-dione1,5-DIPHENYL-3-(2-PYRIDYL)-1,5-PENTANEDIONECHEMBL1876877DTXSID30277086NSC 793
Show more names
NSC-793SMR001547067
Database identifiers
- CAS
5337-48-4- PubChem CID
- 219447
- DTXSID
DTXSID30277086- ChEMBL
CHEMBL1876877- Nikkaji
- J971.373E
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 47 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 403
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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