Basic information
- Standard SMILES
CCC(C)(C)Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c(CC(OC)c2ccc(-c3ccc(F)cn3)cc2)n1- InChIKey
YCONEQYEKXLELV-UHFFFAOYSA-N- Molecular formula
- C42H42FN3O
- Average molar mass
- 623.8 g/mol
- Monoisotopic mass
- 623.33119113
Names & identifiers
- Preferred name
- 2-(4-{2-[4-(2,2-dimethylbutyl)-1-trityl-1H-imidazol-2-yl]-1-methoxyethyl}phenyl)-5-fluoropyridine
- IUPAC
- 2-[4-[2-[4-(2,2-dimethylbutyl)-1-tritylimidazol-2-yl]-1-methoxyethyl]phenyl]-5-fluoropyridine
Names & synonyms
SCHEMBL3500809YCONEQYEKXLELV-UHFFFAOYSA-N2-(4-{2-[4-(2,2-dimethylbutyl)-1-trityl-1H-imidazol-2-yl]-1-methoxyethyl}phenyl)-5-fluoropyridine
Database identifiers
- PubChem CID
- 68667652
Properties
Computed structural properties
- XLogP
- 9.7
- Topological polar surface area
- 39.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 12
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 871
Related reactions
4 records
Compound notes
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