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83133-31-7 | 4,4'-Bipyridinium, 1,1'-dimethyl-2,2',6,6'-tetraphenyl-, dichloride
CAS No: 83133-31-7 Catalog No: AG004W0H MDL No:
Product Description
Catalog Number:
AG004W0H
Chemical Name:
4,4'-Bipyridinium, 1,1'-dimethyl-2,2',6,6'-tetraphenyl-, dichloride
CAS Number:
83133-31-7
Molecular Formula:
C36H30Cl2N2
Molecular Weight:
561.5428
IUPAC Name:
1-methyl-4-(1-methyl-2,6-diphenylpyridin-1-ium-4-yl)-2,6-diphenylpyridin-1-ium;dichloride
InChI:
InChI=1S/C36H30N2.2ClH/c1-37-33(27-15-7-3-8-16-27)23-31(24-34(37)28-17-9-4-10-18-28)32-25-35(29-19-11-5-12-20-29)38(2)36(26-32)30-21-13-6-14-22-30;;/h3-26H,1-2H3;2*1H/q+2;;/p-2
InChI Key:
VZROZCIIKCNJRA-UHFFFAOYSA-L
SMILES:
C[n+]1c(cc(cc1c1ccccc1)c1cc(c2ccccc2)[n+](c(c1)c1ccccc1)C)c1ccccc1.[Cl-].[Cl-]
Properties
Complexity:
580
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
560.179g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
561.55g/mol
Monoisotopic Mass:
560.179g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
7.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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