3-Phenylnaphthalene-1-carbonitrile
Basic information
- CAS
134202-75-8- Standard SMILES
N#Cc1cc(-c2ccccc2)cc2ccccc12- InChIKey
KMSQOMYAROWMNT-UHFFFAOYSA-N- Molecular formula
- C17H11N
- Average molar mass
- 229.27 g/mol
- Monoisotopic mass
- 229.08914936
Names & identifiers
- Preferred name
- 3-Phenylnaphthalene-1-carbonitrile
- IUPAC
- 3-phenylnaphthalene-1-carbonitrile
- English name
- 3-Phenylnaphthalene-1-carbonitrile
- Molecular formula
- C17H11N
- Molecular weight
- 229.28
Names & synonyms
3-Phenylnaphthalene-1-carbonitrile134202-75-8DTXSID90565259DB-0839683-Phenyl-1-naphthonitril1-Naphthalenecarbonitrile, 3-phenyl-
Database identifiers
- CAS
134202-75-8- PubChem CID
- 14909486
- DTXSID
DTXSID90565259- Nikkaji
- J361.205H
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 320
Physicochemical properties
- Melting point
- 129 °C · 129 °C(Solv: ligroine (8032-32-4))
- Boiling point
- 409.7 · 409.7±24.0 °C(Predicted)
- Density
- 1.18 · 1.18±0.1 g/cm3(Predicted)
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Related reactions
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Compound notes
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