Basic information
- CAS
191-81-1- Standard SMILES
c1ccc2c(c1)cc1cc3ccccc3c3c4cccc5cccc(c54)c2c13- InChIKey
LUNAYPYLUWMUNY-UHFFFAOYSA-N- Molecular formula
- C28H16
- Average molar mass
- 352.4 g/mol
- Monoisotopic mass
- 352.12520051
Names & identifiers
- Preferred name
- Dibenzo[a,f]perylene
- IUPAC
- heptacyclo[15.9.1.118,22.02,7.09,27.011,16.026,28]octacosa-1,3,5,7,9,11,13,15,17(27),18,20,22(28),23,25-tetradecaene
- English name
- Dibenzo[a,n]perylene
- Molecular formula
- C28H16
- Molecular weight
- 352.43
Names & synonyms
Dibenzo[a,f]peryleneDibenzo(a,n)peryleneDibenzo[a,n]perylene191-29-7heptacyclo[15.9.1.118,22.02,7.09,27.011,16.026,28]octacosa-1,3,5,7,9,11,13,15,17(27),18,20,22(28),23,25-tetradecaeneSCHEMBL4852101DTXSID2094069165256-40-8
Database identifiers
- CAS
191-81-1、65256-40-8- PubChem CID
- 47573
- DTXSID
DTXSID20940691- Nikkaji
- J79.477E
Properties
Computed structural properties
- XLogP
- 8.3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 545
Physicochemical properties
- Melting point
- 177 · 177-179 °C(Solv: xylene (1330-20-7))
- Boiling point
- 629.3 · 629.3±22.0 °C(Predicted)
- Density
- 1.333 · 1.333±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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