disilver;tetrakis(4-pyridin-2-ylpyrimidine);silver;bis(trifluoromethanesulfonate)

C38H28Ag4F6N12O6S2 — CID 139184943

IUPACdisilver;tetrakis(4-pyridin-2-ylpyrimidine);silver;bis(trifluoromethanesulfonate)
SMILESO=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Ag+].[Ag+].[Ag].[Ag].c1ccc(-c2ccncn2)nc1.c1ccc(-c2ccncn2)nc1.c1ccc(-c2ccncn2)nc1.c1ccc(-c2ccncn2)nc1
InChIInChI=1S/4C9H7N3.2CHF3O3S.4Ag/c4*1-2-5-11-8(3-1)9-4-6-10-7-12-9;2*2-1(3,4)8(5,6)7;;;;/h4*1-7H;2*(H,5,6,7);;;;/q;;;;;;;;2*+1/p-2
InChIKeyGAYDMBFAMJUFBG-UHFFFAOYSA-L
MW1358.31 g/mol
LogP6.25
Rot. Bonds4

About disilver;tetrakis(4-pyridin-2-ylpyrimidine);silver;bis(trifluoromethanesulfonate)

disilver;tetrakis(4-pyridin-2-ylpyrimidine);silver;bis(trifluoromethanesulfonate) (PubChem CID 139184943) has the molecular formula C38H28Ag4F6N12O6S2 and a molecular weight of 1358.31 g/mol. Its IUPAC name is disilver;tetrakis(4-pyridin-2-ylpyrimidine);silver;bis(trifluoromethanesulfonate).

Molecular Properties

Compound Namedisilver;tetrakis(4-pyridin-2-ylpyrimidine);silver;bis(trifluoromethanesulfonate)
PubChem CID139184943
Molecular FormulaC38H28Ag4F6N12O6S2
Molecular Weight1358.31 g/mol
Exact Mass1353.78
IUPAC Namedisilver;tetrakis(4-pyridin-2-ylpyrimidine);silver;bis(trifluoromethanesulfonate)
SMILESO=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Ag+].[Ag+].[Ag].[Ag].c1ccc(-c2ccncn2)nc1.c1ccc(-c2ccncn2)nc1.c1ccc(-c2ccncn2)nc1.c1ccc(-c2ccncn2)nc1
InChIInChI=1S/4C9H7N3.2CHF3O3S.4Ag/c4*1-2-5-11-8(3-1)9-4-6-10-7-12-9;2*2-1(3,4)8(5,6)7;;;;/h4*1-7H;2*(H,5,6,7);;;;/q;;;;;;;;2*+1/p-2
InChIKeyGAYDMBFAMJUFBG-UHFFFAOYSA-L
XLogP6.25
TPSA269.08 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds4
Heavy Atoms68
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001358.31
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

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
Di-mu-hydroxo-bis[(2,2'-bipyridine)palladium(II)] trifluoromethanesulfonate
CID 139069164
Tetracopper;tetrakis(2-pyridin-2-ylpyridine);tetrakis(trifluoromethanesulfonate);tetrahydroxide
CID 139146682
bis(iron(3+));methanol;oxygen(2-);bis(6-pyridin-2-yl-N-(6-pyridin-2-yl-2-pyridinyl)pyridin-2-amine);tetrakis(trifluoromethanesulfonate)
CID 139148676
Cerium(3+);bis(2,6-dipyridin-2-ylpyridine);tris(trifluoromethanesulfonate)
CID 139153054
benzene;tetrakis(cobalt(2+));bis(4,6-dipyridin-2-ylpyrimidine);octakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate)
CID 139154705
Copper;bis(2-(1-pyridin-2-yltriazol-4-yl)pyridine);bis(trifluoromethanesulfonate)
CID 139200432
oxidanium;2,6-dipyridin-2-ylpyridine;N-pyridin-2-yl-N-(3-pyrrol-1-ylpropyl)pyridin-2-amine;ruthenium(2+);bis(trifluoromethanesulfonate);dihydrate
CID 168337752
iridium(3+);bis(2-methyl-4-pyridin-2-yl-5H-pyrimidin-5-ide);4-pyridin-2-yl-2-(trifluoromethyl)pyrimidine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyrimidine
CID 157973675
Tetrakis(2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine);bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);hexakis(iridium);pyridine-2-sulfonic acid;bis(pyrimidine-2-sulfonic acid);pyrimidine-4-sulfonic acid;bis(1,3,5-triazine-2-sulfonic acid)
CID 158939980
5-fluoro-2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;4-fluoro-2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]-5-(trifluoromethyl)pyrimidine;pentakis(iridium);2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]-5-(trifluoromethyl)pyrimidine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]-4-(trifluoromethyl)pyrimidine;2-methyl-6-(trifluoromethyl)-3-[6-(trifluoromethyl)-2-pyridinyl]-4H-pyridin-4-ide
CID 161219432

Frequently Asked Questions

What is the IUPAC name of disilver;tetrakis(4-pyridin-2-ylpyrimidine);silver;bis(trifluoromethanesulfonate)?
The IUPAC name of disilver;tetrakis(4-pyridin-2-ylpyrimidine);silver;bis(trifluoromethanesulfonate) (CID 139184943) is disilver;tetrakis(4-pyridin-2-ylpyrimidine);silver;bis(trifluoromethanesulfonate).
What is the SMILES notation for disilver;tetrakis(4-pyridin-2-ylpyrimidine);silver;bis(trifluoromethanesulfonate)?
The canonical SMILES for disilver;tetrakis(4-pyridin-2-ylpyrimidine);silver;bis(trifluoromethanesulfonate) is O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Ag+].[Ag+].[Ag].[Ag].c1ccc(-c2ccncn2)nc1.c1ccc(-c2ccncn2)nc1.c1ccc(-c2ccncn2)nc1.c1ccc(-c2ccncn2)nc1.
What is the InChIKey of disilver;tetrakis(4-pyridin-2-ylpyrimidine);silver;bis(trifluoromethanesulfonate)?
The InChIKey is GAYDMBFAMJUFBG-UHFFFAOYSA-L. The full InChI is InChI=1S/4C9H7N3.2CHF3O3S.4Ag/c4*1-2-5-11-8(3-1)9-4-6-10-7-12-9;2*2-1(3,4)8(5,6)7;;;;/h4*1-7H;2*(H,5,6,7);;;;/q;;;;;;;;2*+1/p-2.
What are the key properties of disilver;tetrakis(4-pyridin-2-ylpyrimidine);silver;bis(trifluoromethanesulfonate)?
disilver;tetrakis(4-pyridin-2-ylpyrimidine);silver;bis(trifluoromethanesulfonate) has a molecular weight of 1358.31 g/mol, XLogP of 6.25, 4 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for disilver;tetrakis(4-pyridin-2-ylpyrimidine);silver;bis(trifluoromethanesulfonate) is sourced from PubChem (CID 139184943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).