3-(4-Bromophenyl)-2-(1-naphthyl)-5-(2-naphthyl)-5-oxopentanenitrile
Basic information
- CAS
892156-96-6- Standard SMILES
N#CC(c1cccc2ccccc12)C(CC(=O)c1ccc2ccccc2c1)c1ccc(Br)cc1- InChIKey
HDORPSOLFSLMLB-UHFFFAOYSA-N- Molecular formula
- C31H22BrNO
- Average molar mass
- 504.4 g/mol
- Monoisotopic mass
- 503.08848
Names & identifiers
- Preferred name
- 3-(4-Bromophenyl)-2-(1-naphthyl)-5-(2-naphthyl)-5-oxopentanenitrile
- IUPAC
- 3-(4-bromophenyl)-2-naphthalen-1-yl-5-naphthalen-2-yl-5-oxopentanenitrile
Names & synonyms
AKOS0244056903-(4-BROMOPHENYL)-2-(1-NAPHTHYL)-5-(2-NAPHTHYL)-5-OXOPENTANENITRILE
Database identifiers
- CAS
892156-96-6- PubChem CID
- 4136300
- EC Number
- 123-097-2
Properties
Computed structural properties
- XLogP
- 7.9
- Topological polar surface area
- 40.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 733
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