Basic information
- Standard SMILES
O=C(O)c1c(-c2ccccc2)c2cc(-n3cccc3)ccc2n1Cc1ccccc1- InChIKey
SLPPPFXATSQASL-UHFFFAOYSA-N- Molecular formula
- C26H20N2O2
- Average molar mass
- 392.4 g/mol
- Monoisotopic mass
- 392.15247789
Names & identifiers
- Preferred name
- 1-benzyl-3-phenyl-5-(1H-pyrrol-1-yl)-1H-indole-2-carboxylic acid
- IUPAC
- 1-benzyl-3-phenyl-5-pyrrol-1-ylindole-2-carboxylic acid
Names & synonyms
CHEMBL364602SCHEMBL5173838SLPPPFXATSQASL-UHFFFAOYSA-N1-benzyl-3-phenyl-5-(1H-pyrrol-1-yl)-1H-indole-2-carboxylic acid
Database identifiers
- PubChem CID
- 11486167
- ChEMBL
CHEMBL364602
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 47.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 578
Related reactions
4 records
Compound notes
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