Basic information
- CAS
25698-61-7- Standard SMILES
O=c1c2cc([N+](=O)[O-])ccc2c2ccc([N+](=O)[O-])cc2c(=O)n1-c1ccc2c(c1)Cc1ccccc1-2- InChIKey
YUZSAOZAKUCEPO-UHFFFAOYSA-N- Molecular formula
- C27H15N3O6
- Average molar mass
- 477.4 g/mol
- Monoisotopic mass
- 477.09608521
Names & identifiers
- Preferred name
- 6-(9h-Fluoren-2-yl)-3,9-dinitro-5h-dibenzo[c,e]azepine-5,7(6h)-dione
- IUPAC
- 6-(9H-fluoren-2-yl)-3,9-dinitrobenzo[d][2]benzazepine-5,7-dione
Names & synonyms
25698-61-76-(9h-fluoren-2-yl)-3,9-dinitro-5h-dibenzo[c,e]azepine-5,7(6h)-dioneNSC132251CHEMBL3828171DTXSID90299704NSC-132251
Database identifiers
- CAS
25698-61-7- PubChem CID
- 280504
- DTXSID
DTXSID90299704- ChEMBL
CHEMBL3828171
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 879
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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