Basic information
- Standard SMILES
CC(C)[Si](Oc1c(F)cc(CC(/C=C/c2ccccc2OCc2ccc(C(C)(C)C)cc2)CCc2ccc(C#N)cc2)cc1F)(C(C)C)C(C)C- InChIKey
DLBJABQMBALCDN-BSYVCWPDSA-N- Molecular formula
- C45H55F2NO2Si
- Average molar mass
- 708 g/mol
- Monoisotopic mass
- 707.39701286
Names & identifiers
- Preferred name
- E-4-[5-[2-(4-tert-Butylbenzyloxy)phenyl]-3-(3,5-difluoro-4-triisopropylsilanyloxybenzyl)pent-4-enyl]benzonitrile
- IUPAC
- 4-[(E)-5-[2-[(4-tert-butylphenyl)methoxy]phenyl]-3-[[3,5-difluoro-4-tri(propan-2-yl)silyloxyphenyl]methyl]pent-4-enyl]benzonitrile
Names & synonyms
SCHEMBL2675240DLBJABQMBALCDN-BSYVCWPDSA-NE-4-[5-[2-(4-tert-Butylbenzyloxy)phenyl]-3-(3,5-difluoro-4-triisopropylsilanyloxybenzyl)pent-4-enyl]benzonitrile
Database identifiers
- PubChem CID
- 57971908
Properties
Computed structural properties
- Topological polar surface area
- 42.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 16
- Heavy atoms
- 51
- Formal charge
- 0
- Complexity
- 1,060
Related reactions
2 records
Compound notes
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