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Home > Pyridines > 306974-22-1
306974-22-1 | Pyridine, 2,2'-[1,4-phenylenebis(methylene-1H-pyrazole-1,3-diyl)]bis-
CAS No: 306974-22-1 Catalog No: AG0030ZJ MDL No:
Product Description
Catalog Number:
AG0030ZJ
Chemical Name:
Pyridine, 2,2'-[1,4-phenylenebis(methylene-1H-pyrazole-1,3-diyl)]bis-
CAS Number:
306974-22-1
Molecular Formula:
C24H20N6
Molecular Weight:
392.4558
IUPAC Name:
2-[1-[[4-[(3-pyridin-2-ylpyrazol-1-yl)methyl]phenyl]methyl]pyrazol-3-yl]pyridine
InChI:
InChI=1S/C24H20N6/c1-3-13-25-21(5-1)23-11-15-29(27-23)17-19-7-9-20(10-8-19)18-30-16-12-24(28-30)22-6-2-4-14-26-22/h1-16H,17-18H2
InChI Key:
HQSNDROKUOFVMN-UHFFFAOYSA-N
SMILES:
c1ccc(nc1)c1ccn(n1)Cc1ccc(cc1)Cn1ccc(n1)c1ccccn1
Properties
Complexity:
476
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
392.175g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
392.466g/mol
Monoisotopic Mass:
392.175g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Literature
| Title | Journal |
|---|---|
| Structures and dynamic behavior of large polyhedral coordination cages: an unusual cage-to-cage interconversion. | Journal of the American Chemical Society 20110202 |
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