AC1L4TBN

1-[2-[4-[4-[2-(3-carboxypyridin-1-ium-1-yl)acetyl]phenyl]phenyl]-2-oxoethyl]pyridin-1-ium-3-carboxylic acid dibromide

Also Known As: KST-1B2718|1,1'-(4,4'-Biphenylenebis(carbonylmethylene))bis(3-carboxypyridinium bromide)|Pyridinium, 1,1'-(4,4'-biphenylenebis(carbonylmethylene))bis(3-carboxy-, dibromide|1,1'-[biphenyl-4,4'-diylbis(2-oxoethane-2,1-diyl)]bis(3-carboxypyridinium) dibromide|1-[2-[4-[4-[2-(3-carboxypyridin-1-ium-1-yl)acetyl]phenyl]phenyl]-2-oxoethyl]pyridin-1-ium-3-carboxylic acid dibromide|1-[2-[4-[4-[2-(3-carboxypyridin-1-ium-1-yl)acetyl]phenyl]phenyl]-2-oxoethyl]pyridin-1-ium-3-carboxylic acid,dibromide|Pyridinium,1,1'-[[1,1'-biphenyl]-4,4'-diylbis(2-oxo-2,1-ethanediyl)]bis[3-carboxy-,dibromide (9CI)

Molecular Formula	C28H22Br2N2O6
Molecular Weight	639.98444 g/mol
LogP	-2.9012
Topological Polar Surface Area	117.0 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	8
Rotatable Bonds	9
Exact Mass	639.98444
Monoisotopic Mass	639.98444
Heavy Atoms	38
Complexity	734.0

Chemical Identifiers

CAS Number	2872-90-4
SMILES	C1=CC(=C[N+](=C1)CC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)C[N+]4=CC=CC(=C4)C(=O)O)C(=O)O.[Br-].[Br-]
InChIKey	NBRYYKUIDYUDAX-UHFFFAOYSA-N