Basic information
- Standard SMILES
CC(C)(C)OC(=O)c1ccc(-n2c3ccccc3c3c(-c4ccc(C#N)nc4)cccc32)cc1F- InChIKey
FCEPLHWEVSVERP-UHFFFAOYSA-N- Molecular formula
- C29H22FN3O2
- Average molar mass
- 463.5 g/mol
- Monoisotopic mass
- 463.16960512
Names & identifiers
- Preferred name
- 2-methylpropan-2-yl 4-[4-(6-cyanopyridin-3-yl)-9H-carbazol-9-yl]-2-fluorobenzoate
- IUPAC
- tert-butyl 4-[4-(6-cyano-3-pyridinyl)carbazol-9-yl]-2-fluorobenzoate
Names & synonyms
SCHEMBL2181941FCEPLHWEVSVERP-UHFFFAOYSA-N2-methylpropan-2-yl 4-[4-(6-cyanopyridin-3-yl)-9H-carbazol-9-yl]-2-fluorobenzoate
Database identifiers
- PubChem CID
- 58338293
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 67.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 818
Related reactions
9 records
Compound notes
Loading…