Basic information
- CAS
53924-09-7- Standard SMILES
O=C(O)c1[nH]c2ccccc2c1C(c1ccccc1)c1ccccc1- InChIKey
RCRHDXWBWNDQLB-UHFFFAOYSA-N- Molecular formula
- C22H17NO2
- Average molar mass
- 327.4 g/mol
- Monoisotopic mass
- 327.12592879
Names & identifiers
- Preferred name
- 1H-Indole-2-carboxylic acid, 3-(diphenylmethyl)-
- IUPAC
- 3-benzhydryl-1H-indole-2-carboxylic acid
- English name
- 3-benzhydryl-1H-indole-2-carboxylic acid
- Molecular formula
- C22H17NO2
- Molecular weight
- 327.38
Names & synonyms
53924-09-73-(Diphenylmethyl)-1H-indole-2-carboxylic acidBRN 04312321H-INDOLE-2-CARBOXYLIC ACID, 3-(DIPHENYLMETHYL)-DTXSID002022095-22-03-00547 (Beilstein Handbook Reference)RefChem:238966DTXCID501247003-benzhydryl-1H-indole-2-carboxylic acidSCHEMBL8476323DB-3151003-Diphenylmethyl-1H-indole-2-carboxylic acid
Database identifiers
- CAS
53924-09-7- PubChem CID
- 40928
- DTXSID
DTXSID00202209- Nikkaji
- J62.659G
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 53.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 435
Physicochemical properties
- Boiling point
- 550.1 · 550.1±38.0 °C(Predicted)
- Density
- 1.27 · 1.270±0.06 g/cm3(Predicted)
- pka
- 4.51 · 4.51±0.30(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…