Basic information
- CAS
82406-82-4- Standard SMILES
CCCCCC1CCC(c2ccc(C(=O)Oc3ccc(-c4ccc(C#N)cc4)cc3)cc2)CC1- InChIKey
QUJHPAZUHOTRRX-UHFFFAOYSA-N- Molecular formula
- C31H33NO2
- Average molar mass
- 451.6 g/mol
- Monoisotopic mass
- 451.2511293
Names & identifiers
- Preferred name
- 4-Cyano-4'-biphenylyl 4-(trans-4-pentylcyclohexyl)benzoate
- IUPAC
- [4-(4-cyanophenyl)phenyl] 4-(4-pentylcyclohexyl)benzoate
- English name
- 4-Cyano-4'-biphenylyl 4-(trans-4-pentylcyclohexyl)benzoate
- Molecular weight
- 0
Names & synonyms
82406-82-4DTXSID603473824-CYANO-4'-BIPHENYLYL 4-(TRANS-4-PENTYLCYCLOHEXYL)BENZOATERefChem:292228DTXCID90298454SCHEMBL9454595SCHEMBL94546004'-Cyano[1,1'-biphenyl]-4-yl 4-(4-pentylcyclohexyl)benzoate4'-Cyano[1,1'-biphenyl]-4-yl 4-(4-pentylcyclohexyl)benzoate #Benzoic acid, 4-(4-pentylcyclohexyl)-, 4'-cyano[1,1'-biphenyl]-4-yl ester
Database identifiers
- CAS
82406-82-4- PubChem CID
- 620896
- DTXSID
DTXSID60347382- Nikkaji
- J201.490D
Properties
Computed structural properties
- XLogP
- 9.6
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 648
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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