Basic information
- CAS
59193-74-7- Standard SMILES
N#CC1c2ccccc2-c2ccccc2N1C(=O)c1ccccc1- InChIKey
WFDDVLVUEIUGCT-UHFFFAOYSA-N- Molecular formula
- C21H14N2O
- Average molar mass
- 310.3 g/mol
- Monoisotopic mass
- 310.11061307
Names & identifiers
- Preferred name
- 5-benzoyl-6H-phenanthridine-6-carbonitrile
- IUPAC
- 5-benzoyl-6H-phenanthridine-6-carbonitrile
Names & synonyms
5-benzoyl-6H-phenanthridine-6-carbonitrile59193-74-7MLS0029204365-benzoyl-5,6-dihydrophenanthridine-6-carbonitrileNSC137805CHEMBL1981108DTXSID40300596NSC-137805SMR001798028DS-005667
Database identifiers
- CAS
59193-74-7- PubChem CID
- 283305
- DTXSID
DTXSID40300596- ChEMBL
CHEMBL1981108
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 515
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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