Basic information
- CAS
25698-59-3- Standard SMILES
O=c1c2cc(Cl)ccc2c2ccc(Cl)cc2c(=O)n1-c1ccc2c(c1)Cc1ccccc1-2- InChIKey
RSXRMWZFBPMNPO-UHFFFAOYSA-N- Molecular formula
- C27H15Cl2NO2
- Average molar mass
- 456.3 g/mol
- Monoisotopic mass
- 455.0479841
Names & identifiers
- Preferred name
- 3,9-Dichloro-6-(9h-fluoren-2-yl)-5h-dibenzo[c,e]azepine-5,7(6h)-dione
- IUPAC
- 3,9-dichloro-6-(9H-fluoren-2-yl)benzo[d][2]benzazepine-5,7-dione
Names & synonyms
25698-59-33,9-dichloro-6-(9h-fluoren-2-yl)-5h-dibenzo[c,e]azepine-5,7(6h)-dioneNSC132250CHEMBL3827578SCHEMBL29355153DTXSID30299703NSC-132250
Database identifiers
- CAS
25698-59-3- PubChem CID
- 280503
- DTXSID
DTXSID30299703- ChEMBL
CHEMBL3827578
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 720
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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