Basic information
- Standard SMILES
c1ccc(-c2cc(-c3cccc(-c4ccc5nc6c7ccccc7ccn6c5c4)c3)nc(-c3ccccc3)n2)cc1- InChIKey
PFMHURXDBFTRSN-UHFFFAOYSA-N- Molecular formula
- C37H24N4
- Average molar mass
- 524.6 g/mol
- Monoisotopic mass
- 524.20009678
Names & identifiers
- Preferred name
- 9-[3-(2,6-Diphenylpyrimidin-4-yl)phenyl]benz[4,5]-imidazo[2,1-a]isoquinoline
- IUPAC
- 9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]benzimidazolo[2,1-a]isoquinoline
Names & synonyms
SCHEMBL14127664PFMHURXDBFTRSN-UHFFFAOYSA-N9-[3-(2,6-Diphenylpyrimidin-4-yl)phenyl]benz[4,5]-imidazo[2,1-a]isoquinoline
Database identifiers
- PubChem CID
- 71077882
Properties
Computed structural properties
- XLogP
- 9.3
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 850
Related reactions
1 records
Compound notes
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