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Home > Pyridines > 163359-80-6
163359-80-6 | 2,2':5',5'':2'',2''':5''',5'''':2'''',2'''''-Sexipyridine, 6,6'''''-dimethyl- (9CI)
CAS No: 163359-80-6 Catalog No: AG001U23 MDL No:
Product Description
Catalog Number:
AG001U23
Chemical Name:
2,2':5',5'':2'',2''':5''',5'''':2'''',2'''''-Sexipyridine, 6,6'''''-dimethyl- (9CI)
CAS Number:
163359-80-6
Molecular Formula:
C32H24N6
Molecular Weight:
492.5732
IUPAC Name:
2-methyl-6-[5-[6-[5-[6-(6-methylpyridin-2-yl)pyridin-3-yl]pyridin-2-yl]pyridin-3-yl]pyridin-2-yl]pyridine
InChI:
InChI=1S/C32H24N6/c1-21-5-3-7-31(37-21)29-15-11-25(19-35-29)23-9-13-27(33-17-23)28-14-10-24(18-34-28)26-12-16-30(36-20-26)32-8-4-6-22(2)38-32/h3-20H,1-2H3
InChI Key:
VRSJDVVKLORZOO-UHFFFAOYSA-N
SMILES:
Cc1cccc(n1)c1ccc(cn1)c1ccc(nc1)c1ccc(cn1)c1ccc(nc1)c1cccc(n1)C
Properties
Complexity:
673
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
492.206g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
492.586g/mol
Monoisotopic Mass:
492.206g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
77.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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