2,4,5-Trinitro-N~1~,N~3~,N~6~-triphenyl-9H-carbazole-1,3,6-trisulfonamide
Basic information
- CAS
25339-05-3- Standard SMILES
O=[N+]([O-])c1c(S(=O)(=O)Nc2ccccc2)c([N+](=O)[O-])c2c([nH]c3ccc(S(=O)(=O)Nc4ccccc4)c([N+](=O)[O-])c32)c1S(=O)(=O)Nc1ccccc1- InChIKey
CQYFJPTYYROEFK-UHFFFAOYSA-N- Molecular formula
- C30H21N7O12S3
- Average molar mass
- 767.7 g/mol
- Monoisotopic mass
- 767.04103265
Names & identifiers
- Preferred name
- 2,4,5-Trinitro-N~1~,N~3~,N~6~-triphenyl-9H-carbazole-1,3,6-trisulfonamide
- IUPAC
- 2,4,5-trinitro-1-N,3-N,6-N-triphenyl-9H-carbazole-1,3,6-trisulfonamide
Names & synonyms
DTXSID5094818525339-05-32,4,5-Trinitro-N~1~,N~3~,N~6~-triphenyl-9H-carbazole-1,3,6-trisulfonamideRefChem:1059585DTXCID501376423Carbazole-1,3,6-trisulfonanilide, ar',ar'',ar'''-trinitro-
Database identifiers
- CAS
25339-05-3- PubChem CID
- 212890
- DTXSID
DTXSID50948185
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 317 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 9
- Heavy atoms
- 52
- Formal charge
- 0
- Complexity
- 1,650
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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