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Home > Pyridines > 147624-98-4
147624-98-4 | 2,2':6',2''-Terpyridine, 4',4''''-[1,1'-biphenyl]-4,4'-diylbis-
CAS No: 147624-98-4 Catalog No: AG001F1S MDL No:
Product Description
Catalog Number:
AG001F1S
Chemical Name:
2,2':6',2''-Terpyridine, 4',4''''-[1,1'-biphenyl]-4,4'-diylbis-
CAS Number:
147624-98-4
Molecular Formula:
C42H28N6
Molecular Weight:
616.7119
IUPAC Name:
4-[4-[4-(2,6-dipyridin-2-ylpyridin-4-yl)phenyl]phenyl]-2,6-dipyridin-2-ylpyridine
InChI:
InChI=1S/C42H28N6/c1-5-21-43-35(9-1)39-25-33(26-40(47-39)36-10-2-6-22-44-36)31-17-13-29(14-18-31)30-15-19-32(20-16-30)34-27-41(37-11-3-7-23-45-37)48-42(28-34)38-12-4-8-24-46-38/h1-28H
InChI Key:
VQZSLSACLQVEBA-UHFFFAOYSA-N
SMILES:
c1ccc(nc1)c1cc(cc(n1)c1ccccn1)c1ccc(cc1)c1ccc(cc1)c1cc(nc(c1)c1ccccn1)c1ccccn1
Properties
Complexity:
832
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
616.238g/mol
Formal Charge:
0
Heavy Atom Count:
48
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
616.728g/mol
Monoisotopic Mass:
616.238g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
77.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.2
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