Quinolinium, 4-((3-amino-4-(((3-amino-4-((1-propylpyridinium-4-yl)amino)phenyl)amino)carbonyl)phenyl)amino)-1-propyl-, diiodide
Basic information
- CAS
53222-36-9- Standard SMILES
CCC[n+]1ccc(Nc2ccc(NC(=O)c3ccc(Nc4cc[n+](CCC)c5ccccc45)cc3N)cc2N)cc1.[I-].[I-]- InChIKey
CXLONFATVARHCI-UHFFFAOYSA-N- Molecular formula
- C33H37I2N7O
- Average molar mass
- 801.5 g/mol
- Monoisotopic mass
- 801.1149
Names & identifiers
- Preferred name
- Quinolinium, 4-((3-amino-4-(((3-amino-4-((1-propylpyridinium-4-yl)amino)phenyl)amino)carbonyl)phenyl)amino)-1-propyl-, diiodide
- IUPAC
- 2-amino-N-[3-amino-4-[(1-propylpyridin-1-ium-4-yl)amino]phenyl]-4-[(1-propylquinolin-1-ium-4-yl)amino]benzamide diiodide
Names & synonyms
Quinolinium, 4-((3-amino-4-(((3-amino-4-((1-propylpyridinium-4-yl)amino)phenyl)amino)carbonyl)phenyl)amino)-1-propyl-, diiodideRefChem:37877153222-36-9CHEMBL3230786
Database identifiers
- CAS
53222-36-9- PubChem CID
- 3040969
- DTXSID
DTXSID50967770- ChEMBL
CHEMBL3230786
Properties
Computed structural properties
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 804
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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