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13096-46-3 | 4,4'-Bipyridinium, 1,1'-bis(phenylmethyl)-
CAS No: 13096-46-3 Catalog No: AG000V6G MDL No:
Product Description
Catalog Number:
AG000V6G
Chemical Name:
4,4'-Bipyridinium, 1,1'-bis(phenylmethyl)-
CAS Number:
13096-46-3
Molecular Formula:
C24H22N2++
Molecular Weight:
338.4449
IUPAC Name:
1-benzyl-4-(1-benzylpyridin-1-ium-4-yl)pyridin-1-ium
InChI:
InChI=1S/C24H22N2/c1-3-7-21(8-4-1)19-25-15-11-23(12-16-25)24-13-17-26(18-14-24)20-22-9-5-2-6-10-22/h1-18H,19-20H2/q+2
InChI Key:
LUAZZOXZPVVGSO-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C[n+]1ccc(cc1)c1cc[n+](cc1)Cc1ccccc1
EC Number:
236-014-0
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.178g/mol
Formal Charge:
2
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
338.454g/mol
Monoisotopic Mass:
338.178g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
7.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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