Quinolinium, 6,6'-(p,p'-biphenylylenebis(carbonylimino))bis(1-butyl-, ditosylate

Substructure search Find similar structures

Basic information

CAS: 18430-43-8
Standard SMILES: CCCC[n+]1cccc2cc(NC(=O)c3ccc(-c4ccc(C(=O)Nc5ccc6c(ccc[n+]6CCCC)c5)cc4)cc3)ccc21.Cc1ccc(S(=O)(=O)O)cc1.Cc1ccc(S(=O)(=O)O)cc1
InChIKey: BNCXXUFPUHLPOW-UHFFFAOYSA-P
Molecular formula: C54H56N4O8S2+2
Average molar mass: 953.2 g/mol
Monoisotopic mass: 952.3539571

Names & identifiers

Preferred name: Quinolinium, 6,6'-(p,p'-biphenylylenebis(carbonylimino))bis(1-butyl-, ditosylate
IUPAC: N-(1-butylquinolin-1-ium-6-yl)-4-[4-[(1-butylquinolin-1-ium-6-yl)carbamoyl]phenyl]benzamide;bis(4-methylbenzenesulfonic acid)
English name: 6,6'-(p,p'-Biphenylylenebis(carbonylimino))bis(1-butylquinolinium) ditosylate
Molecular formula: C40H40N4O2.2C7H7O3S
Molecular weight: 951.173

Names & synonyms

18430-43-8Quinolinium, 6,6'-(p,p'-biphenylylenebis(carbonylimino))bis(1-butyl-, ditosylate6,6'-(p,p'-Biphenylylenebis(carbonylimino))bis(1-butylquinolinium) ditosylateDTXSID50171557RefChem:378792DTXCID30940486,6/'-(p,p/'-Biphenylylenebis(carbonylimino))bis(1-butylquinolinium) ditosylateN-(1-butylquinolin-1-ium-6-yl)-4-[4-[(1-butylquinolin-1-ium-6-yl)carbamoyl]phenyl]benzamide;4-methylbenzenesulfonic acid

Database identifiers

CAS: 18430-43-8
PubChem CID: 205654
DTXSID: DTXSID50171557

Properties

Computed structural properties

Topological polar surface area: 191 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 8
Rotatable bonds: 13
Heavy atoms: 68
Formal charge: 2
Complexity: 1,090

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…