Basic information
- CAS
83135-02-8- Standard SMILES
c1ccc(Cn2cnc3c(-c4ccccc4)ncnc32)cc1- InChIKey
WLEVNCRQTDYJDQ-UHFFFAOYSA-N- Molecular formula
- C18H14N4
- Average molar mass
- 286.3 g/mol
- Monoisotopic mass
- 286.12184646
Names & identifiers
- Preferred name
- 9H-Purine, 6-phenyl-9-(phenylmethyl)-
- IUPAC
- 9-benzyl-6-phenylpurine
Names & synonyms
83135-02-89H-Purine, 6-phenyl-9-(phenylmethyl)-DTXSID70332805RefChem:313597DTXCID202838989-Benzyl-6-phenyl-9H-purine9-benzyl-6-phenyl-purineCHEMBL19524SCHEMBL29096112
Database identifiers
- CAS
83135-02-8- PubChem CID
- 466478
- DTXSID
DTXSID70332805- ChEMBL
CHEMBL19524- Nikkaji
- J774.157J
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 43.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 349
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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