Basic information
- CAS
190-36-3- Standard SMILES
c1ccc2c(c1)cc1cccc3c4cccc5cc6ccccc6c(c54)c2c13- InChIKey
PYTPIODZIPXLKF-UHFFFAOYSA-N- Molecular formula
- C28H16
- Average molar mass
- 352.4 g/mol
- Monoisotopic mass
- 352.12520051
Names & identifiers
- Preferred name
- Dibenzo[a,o]perylene
- IUPAC
- heptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,9,11,13,15,17,19,21,23,25-tetradecaene
- English name
- Dibenzo[a,o]perylene
- Molecular formula
- C28H16
- Molecular weight
- 352.43
Names & synonyms
Dibenzo[a,o]peryleneDibenzo(a,o)perylene190-36-3heptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,9,11,13,15,17,19,21,23,25-tetradecaeneSCHEMBL4525187DTXSID10172449PYTPIODZIPXLKF-UHFFFAOYSA-Nms-Benzodianthreneo-meso-Benzodianthrene
Database identifiers
- CAS
190-36-3- PubChem CID
- 136002
- DTXSID
DTXSID10172449- Nikkaji
- J10.917G
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
- 541
Physicochemical properties
- Boiling point
- 629.3 · 629.3±22.0 °C(Predicted)
- Density
- 1.333 · 1.333±0.06 g/cm3(Predicted)
Related reactions
2 records
Compound notes
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