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308363-85-1 | 2,2'-Bipyridine, 4,4''-(1,6-pyrenediyl)bis- (9CI)
CAS No: 308363-85-1 Catalog No: AG0031GD MDL No:
Product Description
Catalog Number:
AG0031GD
Chemical Name:
2,2'-Bipyridine, 4,4''-(1,6-pyrenediyl)bis- (9CI)
CAS Number:
308363-85-1
Molecular Formula:
C36H22N4
Molecular Weight:
510.5867
IUPAC Name:
2-pyridin-2-yl-4-[6-(2-pyridin-2-ylpyridin-4-yl)pyren-1-yl]pyridine
InChI:
InChI=1S/C36H22N4/c1-3-17-37-31(5-1)33-21-25(15-19-39-33)27-11-7-23-10-14-30-28(12-8-24-9-13-29(27)35(23)36(24)30)26-16-20-40-34(22-26)32-6-2-4-18-38-32/h1-22H
InChI Key:
RYVFJMYBZDWCMY-UHFFFAOYSA-N
SMILES:
c1ccc(nc1)c1nccc(c1)c1ccc2c3c1ccc1c3c(cc2)c(cc1)c1ccnc(c1)c1ccccn1
Properties
Complexity:
779
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
510.184g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
510.6g/mol
Monoisotopic Mass:
510.184g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.4
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