3-(2',2''-Diisobutyl-4-methoxy-3-naphthalen-1-ylmethyl-[1,1':4', 1'']-terphenyl-4''-yl)propionitrile

HCID 22565254

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

Related reactions

5 records

Compound notes

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