2,3-diphenyl-1H-indole-5-carboxylic Acid
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Basic information
- CAS
36729-28-9- Standard SMILES
O=C(O)c1ccc2[nH]c(-c3ccccc3)c(-c3ccccc3)c2c1- InChIKey
WSPPMWBJFMUSTB-UHFFFAOYSA-N- Molecular formula
- C21H15NO2
- Average molar mass
- 313.3 g/mol
- Monoisotopic mass
- 313.11027872
Names & identifiers
- Preferred name
- 2,3-diphenyl-1H-indole-5-carboxylic Acid
- IUPAC
- 2,3-diphenyl-1H-indole-5-carboxylic acid
Names & synonyms
2,3-diphenyl-1H-indole-5-carboxylic Acid36729-28-9Oprea1_367632SCHEMBL2284207WSPPMWBJFMUSTB-UHFFFAOYSA-NDTXSID401274313DA-06396
Database identifiers
- CAS
36729-28-9- PubChem CID
- 3900308
- DTXSID
DTXSID401274313
Properties
Computed structural propertiesFilling in
- XLogP
- 4.9
- Topological polar surface area
- 53.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 439
Related reactions
2 records
Compound notes
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