Basic information
- CAS
190-95-4- Standard SMILES
c1ccc2c(c1)c1cccc3c4cccc5ccc6ccc2c(c13)c6c54- InChIKey
UJPJAAQMHAHWRM-UHFFFAOYSA-N- Molecular formula
- C26H14
- Average molar mass
- 326.4 g/mol
- Monoisotopic mass
- 326.10955045
Names & identifiers
- Preferred name
- Dibenzo(b,pqr)perylene
- IUPAC
- heptacyclo[12.12.0.02,11.03,8.04,25.015,20.021,26]hexacosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21(26),22,24-tridecaene
- English name
- Dibenzo[e,ghi]perylene
- Molecular formula
- C26H14
- Molecular weight
- 326.39
Names & synonyms
Dibenzo[b,pqr]perylene190-95-4Dibenzo(b,pqr)peryleneDTXSID50172463RefChem:337202DTXCID4094954dibenzo[e,ghi]peryleneheptacyclo[12.12.0.02,11.03,8.04,25.015,20.021,26]hexacosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21(26),22,24-tridecaeneSCHEMBL4853454SCHEMBL29587575DB-220320Dibenzo[e,ghi]perylene in toluene
Database identifiers
- CAS
190-95-4- PubChem CID
- 136014
- DTXSID
DTXSID50172463- Nikkaji
- J79.476G
Properties
Computed structural properties
- XLogP
- 7.1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 564
Physicochemical properties
- Melting point
- 288 °C · 288 °C(Solv: xylene (1330-20-7))
- Boiling point
- 579 · 579.0±17.0 °C(Predicted)
- Density
- 1.391 · 1.391±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers3 total
坛墨质检科技股份有限公司4008-099-669 · [email protected]
CHIRON[email protected]
上海甄准生物科技有限公司15800340161 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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