2-oxo-6-N,8-N-bis(4-phenyldiazenylphenyl)-1H-benzo[cd]indole-6,8-disulfonamide
Basic information
- CAS
406474-96-2- Standard SMILES
O=C1Nc2c(S(=O)(=O)Nc3ccc(N=Nc4ccccc4)cc3)cc(S(=O)(=O)Nc3ccc(N=Nc4ccccc4)cc3)c3cccc1c23- InChIKey
XSIITCFRGGSAGW-UHFFFAOYSA-N- Molecular formula
- C35H25N7O5S2
- Average molar mass
- 687.8 g/mol
- Monoisotopic mass
- 687.13585927
Names & identifiers
- Preferred name
- 2-oxo-6-N,8-N-bis(4-phenyldiazenylphenyl)-1H-benzo[cd]indole-6,8-disulfonamide
- IUPAC
- 2-oxo-6-N,8-N-bis(4-phenyldiazenylphenyl)-1H-benzo[cd]indole-6,8-disulfonamide
Names & synonyms
DTXSID901041032406474-96-2Benz[cd]indole-6,8-disulfonamide, 1,2-dihydro-2-oxo-N6,N8-bis[4-(2-phenyldiazenyl)phenyl]-
Database identifiers
- CAS
406474-96-2- PubChem CID
- 24320159
- DTXSID
DTXSID901041032
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 188 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 10
- Heavy atoms
- 49
- Formal charge
- 0
- Complexity
- 1,400
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…