silver;bis(4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine);trifluoromethanesulfonate

C37H48AgF3N4O3S — CID 139072979

IUPACsilver;bis(4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine);trifluoromethanesulfonate
SMILESCC(C)(C)c1ccnc(-c2cc(C(C)(C)C)ccn2)c1.CC(C)(C)c1ccnc(-c2cc(C(C)(C)C)ccn2)c1.O=S(=O)([O-])C(F)(F)F.[Ag+]
InChIInChI=1S/2C18H24N2.CHF3O3S.Ag/c2*1-17(2,3)13-7-9-19-15(11-13)16-12-14(8-10-20-16)18(4,5)6;2-1(3,4)8(5,6)7;/h2*7-12H,1-6H3;(H,5,6,7);/q;;;+1/p-1
InChIKeyUSLSYBFRRLCQHV-UHFFFAOYSA-M
MW793.74 g/mol
LogP9.53
Rot. Bonds2

About silver;bis(4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine);trifluoromethanesulfonate

silver;bis(4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine);trifluoromethanesulfonate (PubChem CID 139072979) has the molecular formula C37H48AgF3N4O3S and a molecular weight of 793.74 g/mol. Its IUPAC name is silver;bis(4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine);trifluoromethanesulfonate.

Molecular Properties

Compound Namesilver;bis(4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine);trifluoromethanesulfonate
PubChem CID139072979
Molecular FormulaC37H48AgF3N4O3S
Molecular Weight793.74 g/mol
Exact Mass792.25
IUPAC Namesilver;bis(4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine);trifluoromethanesulfonate
SMILESCC(C)(C)c1ccnc(-c2cc(C(C)(C)C)ccn2)c1.CC(C)(C)c1ccnc(-c2cc(C(C)(C)C)ccn2)c1.O=S(=O)([O-])C(F)(F)F.[Ag+]
InChIInChI=1S/2C18H24N2.CHF3O3S.Ag/c2*1-17(2,3)13-7-9-19-15(11-13)16-12-14(8-10-20-16)18(4,5)6;2-1(3,4)8(5,6)7;/h2*7-12H,1-6H3;(H,5,6,7);/q;;;+1/p-1
InChIKeyUSLSYBFRRLCQHV-UHFFFAOYSA-M
XLogP9.53
TPSA108.76 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500793.74
LogP ≤ 59.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

(4,4'-Di-tert-butyl-2,2'-bipyridine)bis[3,5-difluoro-2-[5-trifluoromethyl-2-pyridinyl-kappaN)phenyl-kappaC]iridium(III) Hexafluorophosphate
CID 53260182
Iridium(3+) ion bis(3,5-difluoro-2-(pyridin-2-yl)benzen-1-ide) 4-tert-butyl-2-(4-tert-butylpyridin-2-yl)pyridine hexafluoro-lambda5-phosphanuide
CID 137698751
4-Tert-butyl-2,6-bis(4-tert-butyl-2-pyridinyl)pyridine;gold(1+);trifluoromethanesulfonate
CID 11858840
(4,4'-Di-t-butyl-2,2'-bipyridine)bis[3,5-difluoro-2-[5-trifluoromethyl-2-pyridinyl-kN)phenyl-kC]iridium(III) hexafluorophosphate
CID 60147002
4-Tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);iridium
CID 170518286
Bis(2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);iridium;2-pyridin-2-ylpyridine
CID 170518302
4-Methyl-2-(4-methyl-2-pyridinyl)pyridine;bis(2-pyridin-2-ylpyridine);ruthenium
CID 5494444
[Ir(dF[CF3]ppy)2(dtbbpy)]PF6
CID 60160592
Bis(palladium(2+));bis(2-pyridin-2-ylpyridine);bis(trifluoromethanesulfonate);dihydroxide
CID 139039543
[Co(bpyPY2Me)(MeCN)(OTf)](OTf)
CID 139042184
[Co(bpy(PYCF3)2)(MeCN)(OTf)](OTf)
CID 139042186
Cobalt(2+);2-pyridin-2-yl-6-[3-(6-pyridin-2-yl-2-pyridinyl)propyl]pyridine;bis(trifluoromethanesulfonate)
CID 139042189

Frequently Asked Questions

What is the IUPAC name of silver;bis(4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine);trifluoromethanesulfonate?
The IUPAC name of silver;bis(4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine);trifluoromethanesulfonate (CID 139072979) is silver;bis(4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine);trifluoromethanesulfonate.
What is the SMILES notation for silver;bis(4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine);trifluoromethanesulfonate?
The canonical SMILES for silver;bis(4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine);trifluoromethanesulfonate is CC(C)(C)c1ccnc(-c2cc(C(C)(C)C)ccn2)c1.CC(C)(C)c1ccnc(-c2cc(C(C)(C)C)ccn2)c1.O=S(=O)([O-])C(F)(F)F.[Ag+].
What is the InChIKey of silver;bis(4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine);trifluoromethanesulfonate?
The InChIKey is USLSYBFRRLCQHV-UHFFFAOYSA-M. The full InChI is InChI=1S/2C18H24N2.CHF3O3S.Ag/c2*1-17(2,3)13-7-9-19-15(11-13)16-12-14(8-10-20-16)18(4,5)6;2-1(3,4)8(5,6)7;/h2*7-12H,1-6H3;(H,5,6,7);/q;;;+1/p-1.
What are the key properties of silver;bis(4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine);trifluoromethanesulfonate?
silver;bis(4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine);trifluoromethanesulfonate has a molecular weight of 793.74 g/mol, XLogP of 9.53, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for silver;bis(4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine);trifluoromethanesulfonate is sourced from PubChem (CID 139072979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).