1,3,6,8-Pyrenetetracarbonitrile
Basic information
- CAS
28496-11-9- Standard SMILES
N#Cc1cc(C#N)c2ccc3c(C#N)cc(C#N)c4ccc1c2c43- InChIKey
UQUSWFUNTREYGO-UHFFFAOYSA-N- Molecular formula
- C20H6N4
- Average molar mass
- 302.3 g/mol
- Monoisotopic mass
- 302.05924621
Names & identifiers
- Preferred name
- 1,3,6,8-Pyrenetetracarbonitrile
- IUPAC
- pyrene-1,3,6,8-tetracarbonitrile
- English name
- 1,3,6,8-tetracyanopyrene
- Molecular formula
- C20H6N4
- Molecular weight
- 302.29
Names & synonyms
28496-11-91,3,6,8-PyrenetetracarbonitrileDTXSID20452769RefChem:217550DTXCID10403588Pyrene-1,3,6,8-tetracarbonitrileMFCD003897861,3,6,8-tetracyanopyreneSCHEMBL10623232C20H6N4AC8995SY251249
Database identifiers
- CAS
28496-11-9- PubChem CID
- 11033985
- DTXSID
DTXSID20452769- Nikkaji
- J1.075.710J
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 95.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 609
Physicochemical properties
- Boiling point
- 588.4 · 588.4±45.0 °C(Predicted)
- Density
- 1.48 · 1.48±0.1 g/cm3(Predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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