Basic information
- CAS
87633-73-6- Standard SMILES
CCCCCc1ccc2cc(-c3ccc(C#N)cc3)ccc2c1- InChIKey
OLAPLPWWYKSADH-UHFFFAOYSA-N- Molecular formula
- C22H21N
- Average molar mass
- 299.4 g/mol
- Monoisotopic mass
- 299.16739967
Names & identifiers
- Preferred name
- 4-(6-Pentylnaphthalen-2-yl)benzonitrile
- IUPAC
- 4-(6-pentylnaphthalen-2-yl)benzonitrile
Names & synonyms
4-(6-Pentylnaphthalen-2-yl)benzonitrile87633-73-6SCHEMBL3153690DTXSID80347122OLAPLPWWYKSADH-UHFFFAOYSA-N4-(6-Pentyl-2-naphthyl)benzonitrile #4-(6-Pentyl-naphthalen-2-yl)-benzonitrile
Database identifiers
- CAS
87633-73-6- PubChem CID
- 618092
- DTXSID
DTXSID80347122
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 397
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical diffusion
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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