Quinolinium, 4-((3-amino-4-(((3-amino-4-((1-methylpyridinium-4-yl)amino)phenyl)amino)carbonyl)phenyl)amino)-1-methyl-, diiodide
Basic information
- CAS
53222-34-7- Standard SMILES
C[n+]1ccc(Nc2ccc(NC(=O)c3ccc(Nc4cc[n+](C)c5ccccc45)cc3N)cc2N)cc1.[I-].[I-]- InChIKey
NSSVPBWJDHZSEA-UHFFFAOYSA-N- Molecular formula
- C29H29I2N7O
- Average molar mass
- 745.4 g/mol
- Monoisotopic mass
- 745.0523
Names & identifiers
- Preferred name
- Quinolinium, 4-((3-amino-4-(((3-amino-4-((1-methylpyridinium-4-yl)amino)phenyl)amino)carbonyl)phenyl)amino)-1-methyl-, diiodide
- IUPAC
- 2-amino-N-[3-amino-4-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]-4-[(1-methylquinolin-1-ium-4-yl)amino]benzamide diiodide
Names & synonyms
Quinolinium, 4-((3-amino-4-(((3-amino-4-((1-methylpyridinium-4-yl)amino)phenyl)amino)carbonyl)phenyl)amino)-1-methyl-, diiodideRefChem:37877053222-34-7CHEMBL3230776
Database identifiers
- CAS
53222-34-7- PubChem CID
- 3040967
- DTXSID
DTXSID40967769- ChEMBL
CHEMBL3230776
Properties
Computed structural properties
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 744
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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