Pyrenecarbonitrile
Basic information
- CAS
83536-57-6- Standard SMILES
N#Cc1cc2ccc3cccc4ccc(c1)c2c34- InChIKey
OMIHXOAMBGZVHH-UHFFFAOYSA-N- Molecular formula
- C17H9N
- Average molar mass
- 227.26 g/mol
- Monoisotopic mass
- 227.07349929
Names & identifiers
- Preferred name
- Pyrenecarbonitrile
- IUPAC
- pyrene-2-carbonitrile
Names & synonyms
pyrene-2-carbonitrile2-Cyanopyrene83536-57-6PYRENECARBONITRILESCHEMBL328962SCHEMBL5749004SCHEMBL5750154SCHEMBL5750960DTXSID6010035281903-15-7SY531413
Database identifiers
- CAS
83536-57-6- PubChem CID
- 55038
- DTXSID
DTXSID601003528- Nikkaji
- J1.753.918C
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 352
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Related reactions
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Compound notes
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