Basic information
- CAS
62716-20-5- Standard SMILES
O=C1c2ccccc2-c2c3ccccc3cc3cccc1c23- InChIKey
SNQWZFDFVZBDFF-UHFFFAOYSA-N- Molecular formula
- C21H12O
- Average molar mass
- 280.3 g/mol
- Monoisotopic mass
- 280.088815
Names & identifiers
- Preferred name
- 9H-Dibenzo(C,MN)phenanthren-9-one
- IUPAC
- pentacyclo[11.7.1.02,7.09,21.015,20]henicosa-1(21),2,4,6,9,11,13,15,17,19-decaen-8-one
- English name
- 5H-Naphth[3,2,1-de]anthracen-5-one
- Molecular formula
- C21H12O
- Molecular weight
- 280.32
Names & synonyms
9H-DIBENZO(C,MN)PHENANTHREN-9-ONE62716-20-55H-Naphth[3,2,1-de]anthracen-5-oneDTXSID802117985H-naphtho[3,2,1-de]anthracen-5-oneDB-219510CeranthroneCoeranthroneDibenzo[c,mn]phenanthren-5-one
Database identifiers
- CAS
62716-20-5- PubChem CID
- 44147
- DTXSID
DTXSID80211798- Nikkaji
- J82.198E
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
Physicochemical properties
- Boiling point
- 525 · 525.0±17.0 °C(Predicted)
- Density
- 1.315 · 1.315±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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