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189195-55-9 | Pyrimidine, 4,4'-(2,6-pyridinediyl)bis[6-[2,2'-bipyridin]-6-yl-2-phenyl-
CAS No: 189195-55-9 Catalog No: AG002I1G MDL No:
Product Description
Catalog Number:
AG002I1G
Chemical Name:
Pyrimidine, 4,4'-(2,6-pyridinediyl)bis[6-[2,2'-bipyridin]-6-yl-2-phenyl-
CAS Number:
189195-55-9
Molecular Formula:
C45H29N9
Molecular Weight:
695.7721
IUPAC Name:
2-phenyl-4-[6-[2-phenyl-6-(6-pyridin-2-ylpyridin-2-yl)pyrimidin-4-yl]pyridin-2-yl]-6-(6-pyridin-2-ylpyridin-2-yl)pyrimidine
InChI:
InChI=1S/C45H29N9/c1-3-14-30(15-4-1)44-51-40(36-22-11-20-34(48-36)32-18-7-9-26-46-32)28-42(53-44)38-24-13-25-39(50-38)43-29-41(52-45(54-43)31-16-5-2-6-17-31)37-23-12-21-35(49-37)33-19-8-10-27-47-33/h1-29H
InChI Key:
JYQKTTPLBNTUME-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1nc(cc(n1)c1cccc(n1)c1ccccn1)c1cccc(n1)c1nc(nc(c1)c1cccc(n1)c1ccccn1)c1ccccc1
Properties
Complexity:
1040
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
695.255g/mol
Formal Charge:
0
Heavy Atom Count:
54
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
695.79g/mol
Monoisotopic Mass:
695.255g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6
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