Basic information
- Standard SMILES
COc1ccc(-c2ccc(-c3ccc(CCC#N)cc3CC(C)C)cc2CC(C)C)cc1Cc1cccc2ccccc12- InChIKey
DSKOJKFNWXMOQV-UHFFFAOYSA-N- Molecular formula
- C41H43NO
- Average molar mass
- 565.8 g/mol
Names & identifiers
- Preferred name
- 3-(2',2''-Diisobutyl-4-methoxy-3-naphthalen-1-ylmethyl-[1,1':4', 1'']-terphenyl-4''-yl)propionitrile
- IUPAC
- 3-[4-[4-[4-methoxy-3-(naphthalen-1-ylmethyl)phenyl]-3-(2-methylpropyl)phenyl]-3-(2-methylpropyl)phenyl]propanenitrile
Names & synonyms
SCHEMBL4651677DSKOJKFNWXMOQV-UHFFFAOYSA-N3-(2',2''-Diisobutyl-4-methoxy-3-naphthalen-1-ylmethyl-[1,1':4', 1'']-terphenyl-4''-yl)propionitrile3-(2',2''-Diisobutyl-4-methoxy-3-naphthalen-1-ylmethyl-[1,1':4',1'']-terphenyl-4''-yl)propionitrile
Database identifiers
- PubChem CID
- 22565254
Properties
Computed structural properties
- XLogP
- 11.4
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 11
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 870
Related reactions
5 records
Compound notes
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