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

C20H24F6N2O6PtS2 — CID 139117502

IUPAC4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;platinum(2+);bis(trifluoromethanesulfonate)
SMILESCC(C)(C)c1ccnc(-c2cc(C(C)(C)C)ccn2)c1.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Pt+2]
InChIInChI=1S/C18H24N2.2CHF3O3S.Pt/c1-17(2,3)13-7-9-19-15(11-13)16-12-14(8-10-20-16)18(4,5)6;2*2-1(3,4)8(5,6)7;/h7-12H,1-6H3;2*(H,5,6,7);/q;;;+2/p-2
InChIKeyVEFADHLWFKGVIK-UHFFFAOYSA-L
MW761.62 g/mol
LogP4.84
Rot. Bonds1

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

4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;platinum(2+);bis(trifluoromethanesulfonate) (PubChem CID 139117502) has the molecular formula C20H24F6N2O6PtS2 and a molecular weight of 761.62 g/mol. Its IUPAC name is 4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;platinum(2+);bis(trifluoromethanesulfonate).

Molecular Properties

Compound Name4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;platinum(2+);bis(trifluoromethanesulfonate)
PubChem CID139117502
Molecular FormulaC20H24F6N2O6PtS2
Molecular Weight761.62 g/mol
Exact Mass761.06
IUPAC Name4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;platinum(2+);bis(trifluoromethanesulfonate)
SMILESCC(C)(C)c1ccnc(-c2cc(C(C)(C)C)ccn2)c1.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Pt+2]
InChIInChI=1S/C18H24N2.2CHF3O3S.Pt/c1-17(2,3)13-7-9-19-15(11-13)16-12-14(8-10-20-16)18(4,5)6;2*2-1(3,4)8(5,6)7;/h7-12H,1-6H3;2*(H,5,6,7);/q;;;+2/p-2
InChIKeyVEFADHLWFKGVIK-UHFFFAOYSA-L
XLogP4.84
TPSA140.18 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500761.62
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

1-methylsulfonyl-1'-(pyridin-3-ylmethyl)spiro[2H-indole-3,4'-piperidine]
CID 97503968
N,N'-difluoro-2,2'-bipyridinium bis(trifluoromethane-sulfonate)
CID 10814995
4-Tert-butyl-2,6-bis(4-tert-butyl-2-pyridinyl)pyridine;gold(1+);trifluoromethanesulfonate
CID 11858840
4,4'-Bis(4,4,4-trifluorobutyl)-2,2'-bipyridine
CID 16063249
4-(5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-Heptadecafluorododecyl)-2-[4-(5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluorododecyl)-2-pyridinyl]pyridine
CID 10964217
[Fe(OTf)2(bpbp)]
CID 53314869
Acetonitrile;1-(dipyridin-2-ylmethyl)-4,7-dimethyl-1,4,7-triazonane;iron(2+);bis(trifluoromethanesulfonate)
CID 53314872
N,N'-dimethyl-N,N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine;iron(2+);bis(trifluoromethanesulfonate)
CID 53314874
[(4-Tert-butyl-1-methyl-2-phenylpyrrol-3-yl)-phenylmethylidene]-dimethylazanium;trifluoromethanesulfonate
CID 135008861
[(4-Tert-butyl-1-methyl-5-phenylpyrrol-3-yl)-phenylmethylidene]-dimethylazanium;trifluoromethanesulfonate
CID 135053520
[Co(bpyPY2Me)(MeCN)(OTf)](OTf)
CID 139042184
Acetonitrile;antimony(3+);bis(4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine);tris(trifluoromethanesulfonate)
CID 139046316

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;platinum(2+);bis(trifluoromethanesulfonate)?
The IUPAC name of 4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;platinum(2+);bis(trifluoromethanesulfonate) (CID 139117502) is 4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;platinum(2+);bis(trifluoromethanesulfonate).
What is the SMILES notation for 4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;platinum(2+);bis(trifluoromethanesulfonate)?
The canonical SMILES for 4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;platinum(2+);bis(trifluoromethanesulfonate) is CC(C)(C)c1ccnc(-c2cc(C(C)(C)C)ccn2)c1.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Pt+2].
What is the InChIKey of 4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;platinum(2+);bis(trifluoromethanesulfonate)?
The InChIKey is VEFADHLWFKGVIK-UHFFFAOYSA-L. The full InChI is InChI=1S/C18H24N2.2CHF3O3S.Pt/c1-17(2,3)13-7-9-19-15(11-13)16-12-14(8-10-20-16)18(4,5)6;2*2-1(3,4)8(5,6)7;/h7-12H,1-6H3;2*(H,5,6,7);/q;;;+2/p-2.
What are the key properties of 4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;platinum(2+);bis(trifluoromethanesulfonate)?
4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;platinum(2+);bis(trifluoromethanesulfonate) has a molecular weight of 761.62 g/mol, XLogP of 4.84, 1 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;platinum(2+);bis(trifluoromethanesulfonate) is sourced from PubChem (CID 139117502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).