Basic information
- Standard SMILES
COc1cc2c3c4c(c(-c5ccccc5)cc3n(C)c2cc1OS(=O)(=O)C(F)(F)F)C(=O)NC4=O- InChIKey
KLLIHFCFYJZKMZ-UHFFFAOYSA-N- Molecular formula
- C23H15F3N2O6S
- Average molar mass
- 504.4 g/mol
Names & identifiers
- Preferred name
- (9-Methoxy-6-methyl-1,3-dioxo-4-phenylpyrrolo[3,4-g]carbazol-8-yl) trifluoromethanesulfonate
- IUPAC
- (9-methoxy-6-methyl-1,3-dioxo-4-phenylpyrrolo[3,4-g]carbazol-8-yl) trifluoromethanesulfonate
Names & synonyms
SCHEMBL5828457KLLIHFCFYJZKMZ-UHFFFAOYSA-N(9-methoxy-6-methyl-1,3-dioxo-4-phenylpyrrolo[3,4-g]carbazol-8-yl) trifluoromethanesulfonate
Database identifiers
- PubChem CID
- 21980560
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 963
Related reactions
1 records
Compound notes
Loading…