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Home > Imidazoles > 88047-36-3
88047-36-3 | 1,2'-Bipyridinium, 2-(1H-benzimidazol-2-yl)-4,6-diphenyl-, perchlorate
CAS No: 88047-36-3 Catalog No: AG004IXB MDL No:
Product Description
Catalog Number:
AG004IXB
Chemical Name:
1,2'-Bipyridinium, 2-(1H-benzimidazol-2-yl)-4,6-diphenyl-, perchlorate
CAS Number:
88047-36-3
Molecular Formula:
C29H22Cl2N4O8
Molecular Weight:
625.4130
IUPAC Name:
2-(4,6-diphenyl-1-pyridin-1-ium-2-ylpyridin-1-ium-2-yl)-1H-benzimidazole;diperchlorate
InChI:
InChI=1S/C29H20N4.2ClHO4/c1-3-11-21(12-4-1)23-19-26(22-13-5-2-6-14-22)33(28-17-9-10-18-30-28)27(20-23)29-31-24-15-7-8-16-25(24)32-29;2*2-1(3,4)5/h1-20H;2*(H,2,3,4,5)
InChI Key:
CHHVSLNQIXXXKG-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1cc(c2nc3c([nH]2)cccc3)[n+](c(c1)c1ccccc1)c1cccc[nH+]1.[O-][Cl](=O)(=O)=O.[O-][Cl](=O)(=O)=O
Properties
Complexity:
709
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
624.081g/mol
Formal Charge:
0
Heavy Atom Count:
43
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
625.415g/mol
Monoisotopic Mass:
624.081g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
195A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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