Basic information
- CAS
5623-32-5- Standard SMILES
O=C1c2cc3ccccc3cc2-c2cccc3cccc1c23- InChIKey
JEODYKPSBIYWJA-UHFFFAOYSA-N- Molecular formula
- C21H12O
- Average molar mass
- 280.3 g/mol
- Monoisotopic mass
- 280.088815
Names & identifiers
- Preferred name
- 7H-Dibenz(DE,I)anthracen-7-one
- IUPAC
- pentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-one
Names & synonyms
7H-DIBENZ(DE,I)ANTHRACEN-7-ONE5623-32-57H-benzo[de]tetracen-7-one7H-Benzo[de]naphthacen-7-oneDTXSID90204792
Database identifiers
- CAS
5623-32-5- PubChem CID
- 21835
- DTXSID
DTXSID90204792- Nikkaji
- J1.560.598G
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 455
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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