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Home > Pyridines > 853644-00-5
853644-00-5 | 2,2':6',2''-Terpyridine, 4',4''''-(1,2-ethenediyldi-4,1-phenylene)bis-
CAS No: 853644-00-5 Catalog No: AG004U27 MDL No:
Product Description
Catalog Number:
AG004U27
Chemical Name:
2,2':6',2''-Terpyridine, 4',4''''-(1,2-ethenediyldi-4,1-phenylene)bis-
CAS Number:
853644-00-5
Molecular Formula:
C44H30N6
Molecular Weight:
642.7492
IUPAC Name:
4-[4-[2-[4-(2,6-dipyridin-2-ylpyridin-4-yl)phenyl]ethenyl]phenyl]-2,6-dipyridin-2-ylpyridine
InChI:
InChI=1S/C44H30N6/c1-5-23-45-37(9-1)41-27-35(28-42(49-41)38-10-2-6-24-46-38)33-19-15-31(16-20-33)13-14-32-17-21-34(22-18-32)36-29-43(39-11-3-7-25-47-39)50-44(30-36)40-12-4-8-26-48-40/h1-30H
InChI Key:
WCRQAPMCBYKGAB-UHFFFAOYSA-N
SMILES:
c1ccc(nc1)c1cc(cc(n1)c1ccccn1)c1ccc(cc1)C=Cc1ccc(cc1)c1cc(nc(c1)c1ccccn1)c1ccccn1
Properties
Complexity:
902
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
642.253g/mol
Formal Charge:
0
Heavy Atom Count:
50
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
642.766g/mol
Monoisotopic Mass:
642.253g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
77.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
7.8
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