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Basic information
- Standard SMILES
O=C1c2ccccc2C(=O)N1C(Cc1nccn1C(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1- InChIKey
RDFNIRCHEGSQTD-UHFFFAOYSA-N- Molecular formula
- C38H28ClN3O2
- Average molar mass
- 594.1 g/mol
- Monoisotopic mass
- 593.1870048
Names & identifiers
- Preferred name
- 2-(1-(4-chlorophenyl)-2-(1-trityl-1H-imidazol-2-yl)ethyl)isoindoline-1,3-dione
- IUPAC
- 2-[1-(4-chlorophenyl)-2-(1-tritylimidazol-2-yl)ethyl]isoindole-1,3-dione
Names & synonyms
SCHEMBL391943RDFNIRCHEGSQTD-UHFFFAOYSA-N2-(1-(4-chlorophenyl)-2-(1-trityl-1H-imidazol-2-yl)ethyl)isoindoline-1,3-dione
Database identifiers
- PubChem CID
- 57750412
Properties
Computed structural propertiesFilling in
- XLogP
- 7.9
- Topological polar surface area
- 55.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 909
Related reactions
4 records
Compound notes
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