disilver;bis([6-(pyridine-4-carbonyl)-2-pyridinyl]-pyridin-4-ylmethanone);bis(trifluoromethanesulfonate)

C36H22Ag2F6N6O10S2 — CID 139144392

IUPACdisilver;bis([6-(pyridine-4-carbonyl)-2-pyridinyl]-pyridin-4-ylmethanone);bis(trifluoromethanesulfonate)
SMILESO=C(c1ccncc1)c1cccc(C(=O)c2ccncc2)n1.O=C(c1ccncc1)c1cccc(C(=O)c2ccncc2)n1.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Ag+].[Ag+]
InChIInChI=1S/2C17H11N3O2.2CHF3O3S.2Ag/c2*21-16(12-4-8-18-9-5-12)14-2-1-3-15(20-14)17(22)13-6-10-19-11-7-13;2*2-1(3,4)8(5,6)7;;/h2*1-11H;2*(H,5,6,7);;/q;;;;2*+1/p-2
InChIKeyYEFZLQNHIUFUBC-UHFFFAOYSA-L
MW1092.46 g/mol
LogP4.76
Rot. Bonds8

About disilver;bis([6-(pyridine-4-carbonyl)-2-pyridinyl]-pyridin-4-ylmethanone);bis(trifluoromethanesulfonate)

disilver;bis([6-(pyridine-4-carbonyl)-2-pyridinyl]-pyridin-4-ylmethanone);bis(trifluoromethanesulfonate) (PubChem CID 139144392) has the molecular formula C36H22Ag2F6N6O10S2 and a molecular weight of 1092.46 g/mol. Its IUPAC name is disilver;bis([6-(pyridine-4-carbonyl)-2-pyridinyl]-pyridin-4-ylmethanone);bis(trifluoromethanesulfonate).

Molecular Properties

Compound Namedisilver;bis([6-(pyridine-4-carbonyl)-2-pyridinyl]-pyridin-4-ylmethanone);bis(trifluoromethanesulfonate)
PubChem CID139144392
Molecular FormulaC36H22Ag2F6N6O10S2
Molecular Weight1092.46 g/mol
Exact Mass1089.88
IUPAC Namedisilver;bis([6-(pyridine-4-carbonyl)-2-pyridinyl]-pyridin-4-ylmethanone);bis(trifluoromethanesulfonate)
SMILESO=C(c1ccncc1)c1cccc(C(=O)c2ccncc2)n1.O=C(c1ccncc1)c1cccc(C(=O)c2ccncc2)n1.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Ag+].[Ag+]
InChIInChI=1S/2C17H11N3O2.2CHF3O3S.2Ag/c2*21-16(12-4-8-18-9-5-12)14-2-1-3-15(20-14)17(22)13-6-10-19-11-7-13;2*2-1(3,4)8(5,6)7;;/h2*1-11H;2*(H,5,6,7);;/q;;;;2*+1/p-2
InChIKeyYEFZLQNHIUFUBC-UHFFFAOYSA-L
XLogP4.76
TPSA260.02 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds8
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001092.46
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

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

(E)-3-phenyl-1-(2-pyridyl)prop-2-en-1-one; 2-(2-pyridyl)pyridine; ruthenium(2+); dihexafluorophosphate
CID 6481872
(E)-3-[4-[(E)-3-oxo-3-(2-pyridyl)prop-1-enyl]phenyl]-1-(2-pyridyl)prop-2-en-1-one; 2-(2-pyridyl)pyridine; ruthenium(2+); tetrahexafluorophosphate
CID 11980897
bis(N-(dipyridin-2-ylmethyl)benzamide);iron(2+);bis(trifluoromethanesulfonate)
CID 139118893
Hexadecasilver;hexadecakis(dipyridin-2-ylmethanone);ethanol;hexadecakis(trifluoromethanesulfonate)
CID 139161033
Disilver;bis(pyridin-2-yl(pyridin-4-yl)methanone);bis(trifluoromethanesulfonate)
CID 139179369
2-Ethylsulfanyl-1-[5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-2-pyridinyl]ethanone;2-ethylsulfonyl-1-[5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-2-pyridinyl]ethanone
CID 157676668
1-[4-Methyl-5-(2-methyl-3-pyridinyl)-2-pyridinyl]-3-[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]propan-1-one
CID 159275223
2-(1,1-difluoroethyl)-6-methyl-7-[(6-methylsulfonyl-3-pyridinyl)methyl]-5H-cyclopenta[b]pyridine;1-[6-methyl-7-[(6-methylsulfonyl-3-pyridinyl)methyl]-5H-cyclopenta[b]pyridin-2-yl]ethanone
CID 161779582
Disilver;bis([6-(pyridine-4-carbonyl)-2-pyridinyl]-pyridin-4-ylmethanone);dihexafluorophosphate
CID 139144391
Disilver;bis(pyridin-2-yl(pyridin-4-yl)methanone);ditetrafluoroborate
CID 139179365
Disilver;bis(pyridin-2-yl(pyridin-4-yl)methanone);diperchlorate
CID 139179366
Disilver;bis(pyridin-2-yl(pyridin-4-yl)methanone);dinitrate
CID 139179367

Frequently Asked Questions

What is the IUPAC name of disilver;bis([6-(pyridine-4-carbonyl)-2-pyridinyl]-pyridin-4-ylmethanone);bis(trifluoromethanesulfonate)?
The IUPAC name of disilver;bis([6-(pyridine-4-carbonyl)-2-pyridinyl]-pyridin-4-ylmethanone);bis(trifluoromethanesulfonate) (CID 139144392) is disilver;bis([6-(pyridine-4-carbonyl)-2-pyridinyl]-pyridin-4-ylmethanone);bis(trifluoromethanesulfonate).
What is the SMILES notation for disilver;bis([6-(pyridine-4-carbonyl)-2-pyridinyl]-pyridin-4-ylmethanone);bis(trifluoromethanesulfonate)?
The canonical SMILES for disilver;bis([6-(pyridine-4-carbonyl)-2-pyridinyl]-pyridin-4-ylmethanone);bis(trifluoromethanesulfonate) is O=C(c1ccncc1)c1cccc(C(=O)c2ccncc2)n1.O=C(c1ccncc1)c1cccc(C(=O)c2ccncc2)n1.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Ag+].[Ag+].
What is the InChIKey of disilver;bis([6-(pyridine-4-carbonyl)-2-pyridinyl]-pyridin-4-ylmethanone);bis(trifluoromethanesulfonate)?
The InChIKey is YEFZLQNHIUFUBC-UHFFFAOYSA-L. The full InChI is InChI=1S/2C17H11N3O2.2CHF3O3S.2Ag/c2*21-16(12-4-8-18-9-5-12)14-2-1-3-15(20-14)17(22)13-6-10-19-11-7-13;2*2-1(3,4)8(5,6)7;;/h2*1-11H;2*(H,5,6,7);;/q;;;;2*+1/p-2.
What are the key properties of disilver;bis([6-(pyridine-4-carbonyl)-2-pyridinyl]-pyridin-4-ylmethanone);bis(trifluoromethanesulfonate)?
disilver;bis([6-(pyridine-4-carbonyl)-2-pyridinyl]-pyridin-4-ylmethanone);bis(trifluoromethanesulfonate) has a molecular weight of 1092.46 g/mol, XLogP of 4.76, 8 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for disilver;bis([6-(pyridine-4-carbonyl)-2-pyridinyl]-pyridin-4-ylmethanone);bis(trifluoromethanesulfonate) is sourced from PubChem (CID 139144392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).