Basic information
- CAS
52301-81-2- Standard SMILES
O=[N+]([O-])C1=CC2=NC(c3ccccc3)C(c3ccc(Oc4ccc(C5=NC6=CC([N+](=O)[O-])C([N+](=O)[O-])=CC6=NC5c5ccccc5)cc4)cc3)=NC2=CC1[N+](=O)[O-]- InChIKey
PWGCDCWXWHMTGF-UHFFFAOYSA-N- Molecular formula
- C40H26N8O9
- Average molar mass
- 762.7 g/mol
- Monoisotopic mass
- 762.18227444
Names & identifiers
- Preferred name
- 3,3'-[Oxydi(4,1-phenylene)]bis(6,7-dinitro-2-phenyl-2,6-dihydroquinoxaline)
- IUPAC
- 3-[4-[4-(6,7-dinitro-3-phenyl-3,7-dihydroquinoxalin-2-yl)phenoxy]phenyl]-6,7-dinitro-2-phenyl-2,6-dihydroquinoxaline
Names & synonyms
52301-81-2NSC170937DTXSID70329917NSC-1709373,3'-[Oxydi(4,1-phenylene)]bis(6,7-dinitro-2-phenyl-2,6-dihydroquinoxaline)
Database identifiers
- CAS
52301-81-2- PubChem CID
- 425142
- DTXSID
DTXSID70329917
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 242 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 6
- Heavy atoms
- 57
- Formal charge
- 0
- Complexity
- 1,760
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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