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
- Formal charge
- 0
- Complexity
- 801
Related reactions
4 records
Linked notes
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