Basic information
- CAS
188-96-5- Standard SMILES
c1cc2ccc3c4ccc5cccc6ccc(c7ccc(c1)c2c37)c4c56- InChIKey
WCXXBFNWCCIYQO-UHFFFAOYSA-N- Molecular formula
- C26H14
- Average molar mass
- 326.4 g/mol
- Monoisotopic mass
- 326.10955045
Names & identifiers
- Preferred name
- Dibenzo[cd,lm]perylene
- IUPAC
- heptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1,3(12),4,6,8,10,13(23),14,16,18,20(24),21,25-tridecaene
- English name
- Peropyrene
- Molecular formula
- C26H14
- Molecular weight
- 326.39
Names & synonyms
PeropyrenePeropyrenDIBENZO(cd,lm)PERYLENEDibenzo[cd,lm]perylene188-96-5BRN 1987513DTXSID501721404-05-00-02865 (Beilstein Handbook Reference)RefChem:132825DTXCID2094631heptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1,3(12),4,6,8,10,13(23),14,16,18,20(24),21,25-tridecaeneSCHEMBL713316
Show more names
Peropyrene in toluene
WCXXBFNWCCIYQO-UHFFFAOYSA-NDB-220321
Database identifiers
- CAS
188-96-5- PubChem CID
- 9103
- DTXSID
DTXSID50172140- Nikkaji
- J10.939H
Properties
Computed structural properties
- XLogP
- 7.9
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 470
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physicochemical properties
- Melting point
- 380.5 °C · 380.5°C
- Boiling point
- 399.43 °C · 399.43°C (rough estimate)
- Density
- 1.2006 · 1.2006 (estimate)
- refractive index
- 1.843 · 1.8430 (estimate)
- EWG's Food Scores
- 1 · 1
Chemistry & industry
Suppliers7 total
坛墨质检科技股份有限公司4008-099-669 · [email protected]
广州伟伯科技有限公司[email protected]
DR-EHREN[email protected]
CRESCENT-BIO[email protected]
CHIRON[email protected]
上海甄准生物科技有限公司15800340161 · [email protected]
3B Scientific Corporation[email protected]
Related reactions
1 records
Compound notes
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