Basic information
- CAS
63216-92-2- Standard SMILES
O=C1C(Cl)=C(Nc2ccc3ccc4cccc5ccc2c3c45)C(=O)C(Cl)=C1Nc1ccc2ccc3cccc4ccc1c2c34- InChIKey
OFAGMUSGAUEUPW-UHFFFAOYSA-N- Molecular formula
- C38H20Cl2N2O2
- Average molar mass
- 607.5 g/mol
- Monoisotopic mass
- 606.0901833
Names & identifiers
- Preferred name
- 2,5-Cyclohexadiene-1,4-dione, 2,5-dichloro-3,6-bis(1-pyrenylamino)-
- IUPAC
- 2,5-dichloro-3,6-bis(pyren-1-ylamino)cyclohexa-2,5-diene-1,4-dione
- English name
- 2,5-Dichloro-3,6-bis[(pyren-1-yl)amino]-2,5-cyclohexadiene-1,4-dione
- Molecular formula
- C38H20Cl2N2O2
- Molecular weight
- 607.48
Names & synonyms
2,5-Cyclohexadiene-1,4-dione, 2,5-dichloro-3,6-bis(1-pyrenylamino)-DTXSID30697722,5-Dichloro-3,6-bis(1-pyrenylamino)-2,5-cyclohexadiene-1,4-dioneRefChem:82729DTXCID504376863216-92-2OFAGMUSGAUEUPW-UHFFFAOYSA-N2,5-Dichloro-3,6-bis[(pyren-1-yl)amino]-2,5-cyclohexadiene-1,4-dione2,5-DICHLORO-3,6-BIS[(PYREN-1-YL)AMINO]CYCLOHEXA-2,5-DIENE-1,4-DIONEDB-216722
Database identifiers
- CAS
63216-92-2- PubChem CID
- 113129
- DTXSID
DTXSID3069772- Nikkaji
- J429.547A
Properties
Computed structural properties
- XLogP
- 11.4
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 1,180
Physicochemical properties
- EPA Substance Registry System
- 2 · 2,5-Cyclohexadiene-1,4-dione, 2,5-dichloro-3,6-bis(1-pyrenylamino)- (63216-92-2)
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2,5-Cyclohexadiene-1,4-dione, 2,5-dichloro-3,6-bis(1-pyrenylamino)-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…