Ethyl 5-(isoquinolin-1-yl)-2,4-diphenyl-1h-pyrrole-3-carboxylate
Basic information
- CAS
53778-22-6- Standard SMILES
CCOC(=O)c1c(-c2ccccc2)[nH]c(-c2nccc3ccccc23)c1-c1ccccc1- InChIKey
OXNSNRWEXRHPAL-UHFFFAOYSA-N- Molecular formula
- C28H22N2O2
- Average molar mass
- 418.5 g/mol
- Monoisotopic mass
- 418.16812795
Names & identifiers
- Preferred name
- Ethyl 5-(isoquinolin-1-yl)-2,4-diphenyl-1h-pyrrole-3-carboxylate
- IUPAC
- ethyl 5-isoquinolin-1-yl-2,4-diphenyl-1H-pyrrole-3-carboxylate
Names & synonyms
NSC13147453778-22-6ethyl 5-(isoquinolin-1-yl)-2,4-diphenyl-1h-pyrrole-3-carboxylateDTXSID60299579NSC-1314745-Isoquinolin-1-yl-2,4-diphenyl-1H-pyrrole-3-carboxylic acid ethyl ester
Database identifiers
- CAS
53778-22-6- PubChem CID
- 280085
- DTXSID
DTXSID60299579
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 55 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 613
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Related reactions
0 records
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Compound notes
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