3,9-Dichloro-6-(5,7-dichloro-9h-fluoren-2-yl)-5h-dibenzo[c,e]azepine-5,7(6h)-dione

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Basic information

CAS: 25698-60-6
Standard SMILES: O=c1c2cc(Cl)ccc2c2ccc(Cl)cc2c(=O)n1-c1ccc2c(c1)Cc1cc(Cl)cc(Cl)c1-2
InChIKey: QOISMTJCLHKVAI-UHFFFAOYSA-N
Molecular formula: C27H13Cl4NO2
Average molar mass: 525.2 g/mol
Monoisotopic mass: 522.970039

Names & identifiers

Preferred name: 3,9-Dichloro-6-(5,7-dichloro-9h-fluoren-2-yl)-5h-dibenzo[c,e]azepine-5,7(6h)-dione
IUPAC: 3,9-dichloro-6-(5,7-dichloro-9H-fluoren-2-yl)benzo[d][2]benzazepine-5,7-dione

Names & synonyms

25698-60-63,9-dichloro-6-(5,7-dichloro-9h-fluoren-2-yl)-5h-dibenzo[c,e]azepine-5,7(6h)-dioneCHEMBL3828595NSC132253DTXSID50299705BDBM50189882NSC-132253

Database identifiers

CAS: 25698-60-6
PubChem CID: 280505
DTXSID: DTXSID50299705
ChEMBL: CHEMBL3828595

Properties

Computed structural properties

XLogP: 8.2
Topological polar surface area: 37.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 34
Formal charge: 0
Complexity: 786

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Compound notes

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