Basic information
- CAS
80440-44-4- Standard SMILES
O=C1c2c(ccc3ccccc23)-c2cccc3cccc1c23- InChIKey
TZWFTLUWVSVWJE-UHFFFAOYSA-N- Molecular formula
- C21H12O
- Average molar mass
- 280.3 g/mol
- Monoisotopic mass
- 280.088815
Names & identifiers
- Preferred name
- 7H-Dibenz(de,j)anthracen-7-one
- IUPAC
- pentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-one
- English name
- 7H-Dibenz(de,j)anthracen-7-one
- Molecular formula
- C21H12O
- Molecular weight
- 280.32
Names & synonyms
CCRIS 317480440-44-47H-DIBENZ(DE,J)ANTHRACEN-7-ONEDTXSID602303217H-DIBENZ[DE,J]ANTHRACEN-7-ONERefChem:311375DTXCID60152812Benzo[hi]chrysen-13-oneC3C4ACB7ED7H-Benzo[hi]chrysen-7-one7H-Benzo[ij]tetraphen-7-one
Database identifiers
- CAS
80440-44-4- PubChem CID
- 54578
- DTXSID
DTXSID60230321- UNII
- C3C4ACB7ED
- Nikkaji
- J1.591.791A
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
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physicochemical properties
- Melting point
- 184 · 184-185 °C
- Boiling point
- 210 · 210-230 °C(Press: 0.0001 Torr)
- Density
- 1.315 · 1.315±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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