Basic information
- Standard SMILES
O=[N+]([O-])c1cc([N+](=O)[O-])c(Cc2c([N+](=O)[O-])cc([N+](=O)[O-])c(-c3c([N+](=O)[O-])cc([N+](=O)[O-])cc3[N+](=O)[O-])c2[N+](=O)[O-])c([N+](=O)[O-])c1- InChIKey
IDFLEJHWKBURBW-UHFFFAOYSA-N- Molecular formula
- C19H7N9O18
- Average molar mass
- 649.3 g/mol
Names & identifiers
- Preferred name
- 3-(2,4,6-Trinitrobenzyl)-2,2',4,4',6,6'-hexanitrobiphenyl
- IUPAC
- 1,3,5-trinitro-2-(2,4,6-trinitrophenyl)-4-[(2,4,6-trinitrophenyl)methyl]benzene
Names & synonyms
SCHEMBL11772234IDFLEJHWKBURBW-UHFFFAOYSA-N3-(2,4,6-Trinitrobenzyl)-2,2',4,4',6,6'-hexanitrobiphenyl
Database identifiers
- PubChem CID
- 21556923
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 412 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 18
- Rotatable bonds
- 3
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 1,250
Related reactions
1 records
Compound notes
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