4-[(4-Cyanophenyl)-hydroxy-(1-tritylimidazol-4-yl)methyl]benzonitrile
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Basic information
- Standard SMILES
N#Cc1ccc(C(O)(c2ccc(C#N)cc2)c2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cn2)cc1- InChIKey
SXNMKIYLRUEFHD-UHFFFAOYSA-N- Molecular formula
- C37H26N4O
- Average molar mass
- 542.6 g/mol
Names & identifiers
- Preferred name
- 4-[(4-Cyanophenyl)-hydroxy-(1-tritylimidazol-4-yl)methyl]benzonitrile
- IUPAC
- 4-[(4-cyanophenyl)-hydroxy-(1-tritylimidazol-4-yl)methyl]benzonitrile
Names & synonyms
SCHEMBL2915674
Database identifiers
- PubChem CID
- 68439701
Properties
Computed structural propertiesFilling in
- XLogP
- 6.6
- Topological polar surface area
- 85.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 877
Related reactions
1 records
Compound notes
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