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86625-34-5 | 3,5-Pyridinedicarbonitrile, 2,2'-dithiobis[4,6-diphenyl-
CAS No: 86625-34-5 Catalog No: AG004P06 MDL No:
Product Description
Catalog Number:
AG004P06
Chemical Name:
3,5-Pyridinedicarbonitrile, 2,2'-dithiobis[4,6-diphenyl-
CAS Number:
86625-34-5
Molecular Formula:
C38H20N6S2
Molecular Weight:
624.7356
IUPAC Name:
2-[(3,5-dicyano-4,6-diphenylpyridin-2-yl)disulfanyl]-4,6-diphenylpyridine-3,5-dicarbonitrile
InChI:
InChI=1S/C38H20N6S2/c39-21-29-33(25-13-5-1-6-14-25)31(23-41)37(43-35(29)27-17-9-3-10-18-27)45-46-38-32(24-42)34(26-15-7-2-8-16-26)30(22-40)36(44-38)28-19-11-4-12-20-28/h1-20H
InChI Key:
LQKBOAIBKUZEGT-UHFFFAOYSA-N
SMILES:
N#Cc1c(SSc2nc(c3ccccc3)c(c(c2C#N)c2ccccc2)C#N)nc(c(c1c1ccccc1)C#N)c1ccccc1
Properties
Complexity:
1100
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
624.119g/mol
Formal Charge:
0
Heavy Atom Count:
46
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
624.74g/mol
Monoisotopic Mass:
624.119g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
172A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8
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