disilver;bis(4-phenyl-2,6-dipyridin-2-ylpyridine);4-(2-pyridin-4-ylethyl)pyridine;bis(trifluoromethanesulfonate)

C56H42Ag2F6N8O6S2 — CID 139080008

IUPACdisilver;bis(4-phenyl-2,6-dipyridin-2-ylpyridine);4-(2-pyridin-4-ylethyl)pyridine;bis(trifluoromethanesulfonate)
SMILESO=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Ag+].[Ag+].c1cc(CCc2ccncc2)ccn1.c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1
InChIInChI=1S/2C21H15N3.C12H12N2.2CHF3O3S.2Ag/c2*1-2-8-16(9-3-1)17-14-20(18-10-4-6-12-22-18)24-21(15-17)19-11-5-7-13-23-19;1(11-3-7-13-8-4-11)2-12-5-9-14-10-6-12;2*2-1(3,4)8(5,6)7;;/h2*1-15H;3-10H,1-2H2;2*(H,5,6,7);;/q;;;;;2*+1/p-2
InChIKeyZBCZPQCZYVRSET-UHFFFAOYSA-L
MW1316.86 g/mol
LogP12.10
Rot. Bonds9

About disilver;bis(4-phenyl-2,6-dipyridin-2-ylpyridine);4-(2-pyridin-4-ylethyl)pyridine;bis(trifluoromethanesulfonate)

disilver;bis(4-phenyl-2,6-dipyridin-2-ylpyridine);4-(2-pyridin-4-ylethyl)pyridine;bis(trifluoromethanesulfonate) (PubChem CID 139080008) has the molecular formula C56H42Ag2F6N8O6S2 and a molecular weight of 1316.86 g/mol. Its IUPAC name is disilver;bis(4-phenyl-2,6-dipyridin-2-ylpyridine);4-(2-pyridin-4-ylethyl)pyridine;bis(trifluoromethanesulfonate).

Molecular Properties

Compound Namedisilver;bis(4-phenyl-2,6-dipyridin-2-ylpyridine);4-(2-pyridin-4-ylethyl)pyridine;bis(trifluoromethanesulfonate)
PubChem CID139080008
Molecular FormulaC56H42Ag2F6N8O6S2
Molecular Weight1316.86 g/mol
Exact Mass1314.07
IUPAC Namedisilver;bis(4-phenyl-2,6-dipyridin-2-ylpyridine);4-(2-pyridin-4-ylethyl)pyridine;bis(trifluoromethanesulfonate)
SMILESO=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Ag+].[Ag+].c1cc(CCc2ccncc2)ccn1.c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1
InChIInChI=1S/2C21H15N3.C12H12N2.2CHF3O3S.2Ag/c2*1-2-8-16(9-3-1)17-14-20(18-10-4-6-12-22-18)24-21(15-17)19-11-5-7-13-23-19;1(11-3-7-13-8-4-11)2-12-5-9-14-10-6-12;2*2-1(3,4)8(5,6)7;;/h2*1-15H;3-10H,1-2H2;2*(H,5,6,7);;/q;;;;;2*+1/p-2
InChIKeyZBCZPQCZYVRSET-UHFFFAOYSA-L
XLogP12.10
TPSA217.52 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds9
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001316.86
LogP ≤ 512.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Related Compounds

tris-(2,2'-bipyridine)cobalt(III)tri(bis(trifluoromethane)sulfonimide)
CID 168434989
tris-(2,2'-bipyridine)cobalt(II)di(bis(trifluoromethane)sulfonimide)
CID 170898766
bis(1-N,2-N-dimethyl-1-N,2-N-bis(pyridin-2-ylmethyl)cyclohexane-1,2-diamine);iron(2+);iron(3+);oxygen(2-);bis(trifluoromethanesulfonate);hydroxide
CID 53350282
trizinc;1-[2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]-N,N-bis[[2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]methanamine;hexakis(trifluoromethanesulfonate)
CID 71656186
trizinc;1-[2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]-N,N-bis[[2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]methanamine;tetrakis(trifluoromethanesulfonate);carbonate
CID 71656189
manganese(2+);trans-(1R,2R)-1-N,2-N-dimethyl-1-N,2-N-bis[(R)-phenyl(pyridin-2-yl)methyl]cyclohexane-1,2-diamine;bis(trifluoromethanesulfonate)
CID 139038376
[(S)-(pmpp)Mn(CF3SO3)2
CID 139040573
[Co(bpy(PYCF3)2)(MeCN)(OTf)](OTf)
CID 139042186
[Co(bpy2pyCF3)OTf)OTf*5CH3CN
CID 139042426
Acetonitrile;antimony(3+);bis(4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine);tris(trifluoromethanesulfonate)
CID 139046316
Bis{mu~2~-3-[3-(2-pyridyl)pyrazol-1-ylmethyl]pyridine-kappa^3^N^1^:N^2^,N^3^}disilver(I) bis(trifluoromethanesulfonate)
CID 139060498
Di-mu-hydroxo-bis[(2,2'-bipyridine)palladium(II)] trifluoromethanesulfonate
CID 139069164

Frequently Asked Questions

What is the IUPAC name of disilver;bis(4-phenyl-2,6-dipyridin-2-ylpyridine);4-(2-pyridin-4-ylethyl)pyridine;bis(trifluoromethanesulfonate)?
The IUPAC name of disilver;bis(4-phenyl-2,6-dipyridin-2-ylpyridine);4-(2-pyridin-4-ylethyl)pyridine;bis(trifluoromethanesulfonate) (CID 139080008) is disilver;bis(4-phenyl-2,6-dipyridin-2-ylpyridine);4-(2-pyridin-4-ylethyl)pyridine;bis(trifluoromethanesulfonate).
What is the SMILES notation for disilver;bis(4-phenyl-2,6-dipyridin-2-ylpyridine);4-(2-pyridin-4-ylethyl)pyridine;bis(trifluoromethanesulfonate)?
The canonical SMILES for disilver;bis(4-phenyl-2,6-dipyridin-2-ylpyridine);4-(2-pyridin-4-ylethyl)pyridine;bis(trifluoromethanesulfonate) is O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Ag+].[Ag+].c1cc(CCc2ccncc2)ccn1.c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.
What is the InChIKey of disilver;bis(4-phenyl-2,6-dipyridin-2-ylpyridine);4-(2-pyridin-4-ylethyl)pyridine;bis(trifluoromethanesulfonate)?
The InChIKey is ZBCZPQCZYVRSET-UHFFFAOYSA-L. The full InChI is InChI=1S/2C21H15N3.C12H12N2.2CHF3O3S.2Ag/c2*1-2-8-16(9-3-1)17-14-20(18-10-4-6-12-22-18)24-21(15-17)19-11-5-7-13-23-19;1(11-3-7-13-8-4-11)2-12-5-9-14-10-6-12;2*2-1(3,4)8(5,6)7;;/h2*1-15H;3-10H,1-2H2;2*(H,5,6,7);;/q;;;;;2*+1/p-2.
What are the key properties of disilver;bis(4-phenyl-2,6-dipyridin-2-ylpyridine);4-(2-pyridin-4-ylethyl)pyridine;bis(trifluoromethanesulfonate)?
disilver;bis(4-phenyl-2,6-dipyridin-2-ylpyridine);4-(2-pyridin-4-ylethyl)pyridine;bis(trifluoromethanesulfonate) has a molecular weight of 1316.86 g/mol, XLogP of 12.10, 9 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for disilver;bis(4-phenyl-2,6-dipyridin-2-ylpyridine);4-(2-pyridin-4-ylethyl)pyridine;bis(trifluoromethanesulfonate) is sourced from PubChem (CID 139080008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).