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Home > Pyridines > 189027-82-5
189027-82-5 | 2,2'-Bipyridine, 6,6'-bis[2-(4'-methyl[2,2'-bipyridin]-4-yl)ethenyl]- (9CI)
CAS No: 189027-82-5 Catalog No: AG002HPN MDL No:
Product Description
Catalog Number:
AG002HPN
Chemical Name:
2,2'-Bipyridine, 6,6'-bis[2-(4'-methyl[2,2'-bipyridin]-4-yl)ethenyl]- (9CI)
CAS Number:
189027-82-5
Molecular Formula:
C36H28N6
Molecular Weight:
544.6477
IUPAC Name:
2-(4-methylpyridin-2-yl)-4-[2-[6-[6-[2-[2-(4-methylpyridin-2-yl)pyridin-4-yl]ethenyl]pyridin-2-yl]pyridin-2-yl]ethenyl]pyridine
InChI:
InChI=1S/C36H28N6/c1-25-13-17-37-33(21-25)35-23-27(15-19-39-35)9-11-29-5-3-7-31(41-29)32-8-4-6-30(42-32)12-10-28-16-20-40-36(24-28)34-22-26(2)14-18-38-34/h3-24H,1-2H3
InChI Key:
LZIHIRCTFKQAAZ-UHFFFAOYSA-N
SMILES:
Cc1ccnc(c1)c1nccc(c1)C=Cc1cccc(n1)c1cccc(n1)C=Cc1ccnc(c1)c1nccc(c1)C
Properties
Complexity:
805
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
544.238g/mol
Formal Charge:
0
Heavy Atom Count:
42
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
544.662g/mol
Monoisotopic Mass:
544.238g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
77.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
5.9
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