([6-(1-[4-tert-Butylbenzyl]-3-pentyl-1H-indol-2-yl)-2-naphthyl]oxy}acetonitrile

HCID 22327333

Basic information

Standard SMILES
CCCCCc1c(-c2ccc3cc(OCC#N)ccc3c2)n(Cc2ccc(C(C)(C)C)cc2)c2ccccc12
InChIKey
BNAIBYFXUKXSGJ-UHFFFAOYSA-N
Molecular formula
C36H38N2O
Average molar mass
514.7 g/mol
Monoisotopic mass
514.29841384

Names & identifiers

Preferred name
([6-(1-[4-tert-Butylbenzyl]-3-pentyl-1H-indol-2-yl)-2-naphthyl]oxy}acetonitrile
IUPAC
2-[6-[1-[(4-tert-butylphenyl)methyl]-3-pentylindol-2-yl]naphthalen-2-yl]oxyacetonitrile

Names & synonyms

([6-(1-[4-tert-Butylbenzyl]-3-pentyl-1H-indol-2-yl)-2-naphthyl]oxy}acetonitrile{[6-(1-[4-tert-Butylbenzyl]-3-pentyl-1H-indol-2-yl)-2-naphthyl]oxy}acetonitrileSCHEMBL4026921BNAIBYFXUKXSGJ-UHFFFAOYSA-N

Database identifiers

PubChem CID
22327333

Properties

Computed structural properties

XLogP
10.4
Topological polar surface area
38 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
10
Heavy atoms
39

Related reactions

4 records

Linked notes

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