1,1'-Bipyrene
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Basic information
- CAS
5101-26-8- Standard SMILES
c1cc2ccc3ccc(-c4ccc5ccc6cccc7ccc4c5c67)c4ccc(c1)c2c34- InChIKey
HOMLMZXKKDLNSB-UHFFFAOYSA-N- Molecular formula
- C32H18
- Average molar mass
- 402.5 g/mol
- Monoisotopic mass
- 402.14085057
Names & identifiers
- Preferred name
- 1,1'-Bipyrene
- IUPAC
- 1-pyren-1-ylpyrene
- English name
- 1,1-Bipyrene
- Molecular formula
- C32H18
- Molecular weight
- 402.49
Names & synonyms
1,1'-Bipyrene5101-26-8DTXSID30295942RefChem:212337DTXCID102470801,1-Bipyrene1-pyren-1-ylpyrenebipyreneNSC106409SCHEMBL2124728SCHEMBL2453890SCHEMBL29413360
Show more names
1,1'-dipyrenyl
SCHEMBL29814212AKOS015901375NSC-106409DB-071289
Database identifiers
- CAS
5101-26-8- PubChem CID
- 267253
- DTXSID
DTXSID30295942- Nikkaji
- J1.062.185B
Properties
Computed structural propertiesFilling in
- XLogP
- 9.8
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 649
Physicochemical properties
- Melting point
- 327 · 327-328 °C
- Boiling point
- 619.8 · 619.8±30.0 °C(Predicted)
- Density
- 1.342 · 1.342±0.06 g/cm3(Predicted)
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_class
- IRRITANT
Related reactions
1 records
Compound notes
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