3-((Triphenylphosphoranyl)methyl)benzonitrile
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Basic information
- CAS
24722-19-8- Standard SMILES
N#Cc1cccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c1- InChIKey
ULNCTZJZNJCVFN-UHFFFAOYSA-N- Molecular formula
- C26H21NP+
- Average molar mass
- 378.4 g/mol
- Monoisotopic mass
- 378.14116167
Names & identifiers
- Preferred name
- 3-((Triphenylphosphoranyl)methyl)benzonitrile
- IUPAC
- (3-cyanophenyl)methyl-triphenylphosphanium
Names & synonyms
3-((Triphenylphosphoranyl)methyl)benzonitrile24722-19-8NSC 156608DTXSID50179457RefChem:273064DTXCID80101948NSC156608SCHEMBL15847191SCHEMBL27968453ULNCTZJZNJCVFN-UHFFFAOYSA-N(3-cyano-benzyl)-triphenyl-phosphonium(3-cyanophenyl)methyl-triphenyl-phosphonium
Show more names
[(3-Cyanophenyl)methyl]tri(phenyl)phosphanium
Database identifiers
- CAS
24722-19-8- PubChem CID
- 494155
- DTXSID
DTXSID50179457
Properties
Computed structural propertiesFilling in
- XLogP
- 5.8
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 1
- Complexity
- 470
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Related reactions
2 records
Compound notes
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