Basic information
- Standard SMILES
N#Cc1ccc2c(c1)c1ccccc1c(=O)n2Cc1ccccc1- InChIKey
WYSOIIFNENQSNH-UHFFFAOYSA-N- Molecular formula
- C21H14N2O
- Average molar mass
- 310.3 g/mol
- Monoisotopic mass
- 310.11061307
Names & identifiers
- Preferred name
- 5-Benzyl-6-oxo-5,6-dihydrophenanthridine-2-carbonitrile
- IUPAC
- 5-benzyl-6-oxophenanthridine-2-carbonitrile
Names & synonyms
SCHEMBL96088WYSOIIFNENQSNH-UHFFFAOYSA-N5-benzyl-6-oxo-5,6-dihydrophenanthridine-2-carbonitrile
Database identifiers
- PubChem CID
- 66596809
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 515
Related reactions
6 records
Compound notes
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