2-(2-Methyl-1h-indol-3-yl)-1,4-diphenylbutane-1,4-dione
Basic information
- CAS
6339-47-5- Standard SMILES
Cc1[nH]c2ccccc2c1C(CC(=O)c1ccccc1)C(=O)c1ccccc1- InChIKey
ZAPHJVYEBGWSNP-UHFFFAOYSA-N- Molecular formula
- C25H21NO2
- Average molar mass
- 367.4 g/mol
- Monoisotopic mass
- 367.15722891
Names & identifiers
- Preferred name
- 2-(2-Methyl-1h-indol-3-yl)-1,4-diphenylbutane-1,4-dione
- IUPAC
- 2-(2-methyl-1H-indol-3-yl)-1,4-diphenylbutane-1,4-dione
Names & synonyms
6339-47-52-(2-methyl-1h-indol-3-yl)-1,4-diphenylbutane-1,4-dioneNSC38326DTXSID80284689NSC-38326DS-0032852-(2-methyl-1H-indol-3-yl)-1,4-diphenyl-butane-1,4-dione
Database identifiers
- CAS
6339-47-5- PubChem CID
- 236203
- DTXSID
DTXSID80284689
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 49.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 547
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…