Basic information
- CAS
830927-89-4- Standard SMILES
Cc1c(C(=O)CC(C)C)c2c(n1-c1ccccc1)C(=O)c1ccccc1C2=O- InChIKey
PKIBZXOSZHJNOR-UHFFFAOYSA-N- Molecular formula
- C24H21NO3
- Average molar mass
- 371.4 g/mol
- Monoisotopic mass
- 371.15214353
Names & identifiers
- Preferred name
- 2-Methyl-3-(3-methylbutanoyl)-1-phenyl-1H-benzo[f]indole-4,9-dione
- IUPAC
- 2-methyl-3-(3-methylbutanoyl)-1-phenylbenzo[f]indole-4,9-dione
Names & synonyms
830927-89-4DTXSID108357892-Methyl-3-(3-methylbutanoyl)-1-phenyl-1H-benzo[f]indole-4,9-dione
Database identifiers
- CAS
830927-89-4- PubChem CID
- 71416396
- DTXSID
DTXSID10835789
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 56.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 636
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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