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Home > Pyridines > 177779-88-3
177779-88-3 | 2,2':6',2''-Terpyridine, 6,6'''-(1,3-phenylene)bis- (9CI)
CAS No: 177779-88-3 Catalog No: AG0025JK MDL No:
Product Description
Catalog Number:
AG0025JK
Chemical Name:
2,2':6',2''-Terpyridine, 6,6'''-(1,3-phenylene)bis- (9CI)
CAS Number:
177779-88-3
Molecular Formula:
C36H24N6
Molecular Weight:
540.6160
IUPAC Name:
2-pyridin-2-yl-6-[6-[3-[6-(6-pyridin-2-ylpyridin-2-yl)pyridin-2-yl]phenyl]pyridin-2-yl]pyridine
InChI:
InChI=1S/C36H24N6/c1-3-22-37-29(12-1)31-16-8-20-35(41-31)33-18-6-14-27(39-33)25-10-5-11-26(24-25)28-15-7-19-34(40-28)36-21-9-17-32(42-36)30-13-2-4-23-38-30/h1-24H
InChI Key:
VFXBMIXIUNOMJU-UHFFFAOYSA-N
SMILES:
c1ccc(nc1)c1cccc(n1)c1cccc(n1)c1cccc(c1)c1cccc(n1)c1cccc(n1)c1ccccn1
Properties
Complexity:
759
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
540.206g/mol
Formal Charge:
0
Heavy Atom Count:
42
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
540.63g/mol
Monoisotopic Mass:
540.206g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
77.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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