Basic information
- CAS
6329-13-1- Standard SMILES
O=[N+]([O-])c1ccc2c(c1)C(=Nc1ccc(N=C3c4cc([N+](=O)[O-])ccc4-c4c3cc([N+](=O)[O-])cc4[N+](=O)[O-])cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1-2- InChIKey
FYRBYOITKXPERE-UHFFFAOYSA-N- Molecular formula
- C32H14N8O12
- Average molar mass
- 702.5 g/mol
- Monoisotopic mass
- 702.07311791
Names & identifiers
- Preferred name
- (9E,9'E)-N,N'-(1,4-Phenylene)bis(2,4,7-trinitro-9H-fluoren-9-imine)
- IUPAC
- 2,4,7-trinitro-N-[4-[(2,4,7-trinitrofluoren-9-ylidene)amino]phenyl]fluoren-9-imine
Names & synonyms
6329-13-1NSC44043DTXSID40328674NSC-44043(9E,9'E)-N,N'-(1,4-Phenylene)bis(2,4,7-trinitro-9H-fluoren-9-imine)
Database identifiers
- CAS
6329-13-1- PubChem CID
- 413010
- DTXSID
DTXSID40328674
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 300 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 2
- Heavy atoms
- 52
- Formal charge
- 0
- Complexity
- 1,440
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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