2-Phenylpyrene
Basic information
- CAS
5101-28-0- Standard SMILES
c1ccc(-c2cc3ccc4cccc5ccc(c2)c3c45)cc1- InChIKey
CCIRWPQIFNLNMJ-UHFFFAOYSA-N- Molecular formula
- C22H14
- Average molar mass
- 278.3 g/mol
- Monoisotopic mass
- 278.10955045
Names & identifiers
- Preferred name
- 2-Phenylpyrene
- IUPAC
- 2-phenylpyrene
- English name
- 2-phenylpyrene
- Molecular formula
- C22H14
- Molecular weight
- 278.35
Names & synonyms
2-Phenylpyrene5101-28-0EINECS 225-820-8DTXSID10199015RefChem:89105DTXCID40121506225-820-8SCHEMBL1335772SCHEMBL3462089SCHEMBL9958258SCHEMBL9958409SCHEMBL18317271
Show more names
Pyrene, 2-phenyl-
SCHEMBL18317660SCHEMBL20774128SCHEMBL20774181SCHEMBL21295616CCIRWPQIFNLNMJ-UHFFFAOYSA-NNS00032187
Database identifiers
- CAS
5101-28-0- PubChem CID
- 78781
- DTXSID
DTXSID10199015- EC Number
- 225-820-8
- Nikkaji
- J203.297J
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 367
Physicochemical properties
- Melting point
- 166 · 166-167 °C
- Boiling point
- 458.8 · 458.8±20.0 °C(Predicted)
- Density
- 1.224 · 1.224±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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