Basic information
- CAS
10338-61-1- Standard SMILES
N#Cc1ccc(N2CC=C(c3ccccc3)CC2)cc1- InChIKey
LSLFIQOFFHSUSD-UHFFFAOYSA-N- Molecular formula
- C18H16N2
- Average molar mass
- 260.3 g/mol
- Monoisotopic mass
- 260.13134852
Names & identifiers
- Preferred name
- Benzonitrile, 4-(4-phenyl-1,2,5,6-tetrahydro-1-pyridyl)-
- IUPAC
- 4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)benzonitrile
Names & synonyms
BRN 1318739BENZONITRILE, 4-(4-PHENYL-1,2,5,6-TETRAHYDRO-1-PYRIDYL)-4-(4-Phenyl-1-(1,2,5,6-tetrahydropyridyl))benzonitrile10338-61-1DTXSID401458035-20-07-00125 (Beilstein Handbook Reference)RefChem:328066DTXCID40682944-(4-phenyl-3,6-dihydropyridin-1(2H)-yl)benzonitrile
Database identifiers
- CAS
10338-61-1- PubChem CID
- 25183
- DTXSID
DTXSID40145803- Nikkaji
- J87.875H
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 27 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 389
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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