trisilver;3-tert-butyl-5-(1,1,2,2,3,3,3-heptafluoropropyl)pyrazol-1-ide;bis(5-tert-butyl-3-(1,1,2,2,3,3,3-heptafluoropropyl)pyrazol-1-ide);toluene

C37H38Ag3F21N6 — CID 139129026

IUPACtrisilver;3-tert-butyl-5-(1,1,2,2,3,3,3-heptafluoropropyl)pyrazol-1-ide;bis(5-tert-butyl-3-(1,1,2,2,3,3,3-heptafluoropropyl)pyrazol-1-ide);toluene
SMILESCC(C)(C)c1cc(C(F)(F)C(F)(F)C(F)(F)F)[n-]n1.CC(C)(C)c1cc(C(F)(F)C(F)(F)C(F)(F)F)n[n-]1.CC(C)(C)c1cc(C(F)(F)C(F)(F)C(F)(F)F)n[n-]1.Cc1ccccc1.[Ag+].[Ag+].[Ag+]
InChIInChI=1S/3C10H10F7N2.C7H8.3Ag/c3*1-7(2,3)5-4-6(19-18-5)8(11,12)9(13,14)10(15,16)17;1-7-5-3-2-4-6-7;;;/h3*4H,1-3H3;2-6H,1H3;;;/q3*-1;;3*+1
InChIKeyZUDBHHFLKPRRDI-UHFFFAOYSA-N
MW1289.31 g/mol
LogP12.86
Rot. Bonds6

About trisilver;3-tert-butyl-5-(1,1,2,2,3,3,3-heptafluoropropyl)pyrazol-1-ide;bis(5-tert-butyl-3-(1,1,2,2,3,3,3-heptafluoropropyl)pyrazol-1-ide);toluene

trisilver;3-tert-butyl-5-(1,1,2,2,3,3,3-heptafluoropropyl)pyrazol-1-ide;bis(5-tert-butyl-3-(1,1,2,2,3,3,3-heptafluoropropyl)pyrazol-1-ide);toluene (PubChem CID 139129026) has the molecular formula C37H38Ag3F21N6 and a molecular weight of 1289.31 g/mol. Its IUPAC name is trisilver;3-tert-butyl-5-(1,1,2,2,3,3,3-heptafluoropropyl)pyrazol-1-ide;bis(5-tert-butyl-3-(1,1,2,2,3,3,3-heptafluoropropyl)pyrazol-1-ide);toluene.

Molecular Properties

Compound Nametrisilver;3-tert-butyl-5-(1,1,2,2,3,3,3-heptafluoropropyl)pyrazol-1-ide;bis(5-tert-butyl-3-(1,1,2,2,3,3,3-heptafluoropropyl)pyrazol-1-ide);toluene
PubChem CID139129026
Molecular FormulaC37H38Ag3F21N6
Molecular Weight1289.31 g/mol
Exact Mass1286.00
IUPAC Nametrisilver;3-tert-butyl-5-(1,1,2,2,3,3,3-heptafluoropropyl)pyrazol-1-ide;bis(5-tert-butyl-3-(1,1,2,2,3,3,3-heptafluoropropyl)pyrazol-1-ide);toluene
SMILESCC(C)(C)c1cc(C(F)(F)C(F)(F)C(F)(F)F)[n-]n1.CC(C)(C)c1cc(C(F)(F)C(F)(F)C(F)(F)F)n[n-]1.CC(C)(C)c1cc(C(F)(F)C(F)(F)C(F)(F)F)n[n-]1.Cc1ccccc1.[Ag+].[Ag+].[Ag+]
InChIInChI=1S/3C10H10F7N2.C7H8.3Ag/c3*1-7(2,3)5-4-6(19-18-5)8(11,12)9(13,14)10(15,16)17;1-7-5-3-2-4-6-7;;;/h3*4H,1-3H3;2-6H,1H3;;;/q3*-1;;3*+1
InChIKeyZUDBHHFLKPRRDI-UHFFFAOYSA-N
XLogP12.86
TPSA80.97 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001289.31
LogP ≤ 512.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze trisilver;3-tert-butyl-5-(1,1,2,2,3,3,3-heptafluoropropyl)pyrazol-1-ide;bis(5-tert-butyl-3-(1,1,2,2,3,3,3-heptafluoropropyl)pyrazol-1-ide);toluene with MolForge

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Related Compounds

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CID 168349906
Tris(3-benzyl-5-methylpyrazol-1-yl)borane
CID 91116062
Tris[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]borane
CID 101337505
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{[3,5-(CF3)2Pz]Ag}3-0.5tol
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Frequently Asked Questions

What is the IUPAC name of trisilver;3-tert-butyl-5-(1,1,2,2,3,3,3-heptafluoropropyl)pyrazol-1-ide;bis(5-tert-butyl-3-(1,1,2,2,3,3,3-heptafluoropropyl)pyrazol-1-ide);toluene?
The IUPAC name of trisilver;3-tert-butyl-5-(1,1,2,2,3,3,3-heptafluoropropyl)pyrazol-1-ide;bis(5-tert-butyl-3-(1,1,2,2,3,3,3-heptafluoropropyl)pyrazol-1-ide);toluene (CID 139129026) is trisilver;3-tert-butyl-5-(1,1,2,2,3,3,3-heptafluoropropyl)pyrazol-1-ide;bis(5-tert-butyl-3-(1,1,2,2,3,3,3-heptafluoropropyl)pyrazol-1-ide);toluene.
What is the SMILES notation for trisilver;3-tert-butyl-5-(1,1,2,2,3,3,3-heptafluoropropyl)pyrazol-1-ide;bis(5-tert-butyl-3-(1,1,2,2,3,3,3-heptafluoropropyl)pyrazol-1-ide);toluene?
The canonical SMILES for trisilver;3-tert-butyl-5-(1,1,2,2,3,3,3-heptafluoropropyl)pyrazol-1-ide;bis(5-tert-butyl-3-(1,1,2,2,3,3,3-heptafluoropropyl)pyrazol-1-ide);toluene is CC(C)(C)c1cc(C(F)(F)C(F)(F)C(F)(F)F)[n-]n1.CC(C)(C)c1cc(C(F)(F)C(F)(F)C(F)(F)F)n[n-]1.CC(C)(C)c1cc(C(F)(F)C(F)(F)C(F)(F)F)n[n-]1.Cc1ccccc1.[Ag+].[Ag+].[Ag+].
What is the InChIKey of trisilver;3-tert-butyl-5-(1,1,2,2,3,3,3-heptafluoropropyl)pyrazol-1-ide;bis(5-tert-butyl-3-(1,1,2,2,3,3,3-heptafluoropropyl)pyrazol-1-ide);toluene?
The InChIKey is ZUDBHHFLKPRRDI-UHFFFAOYSA-N. The full InChI is InChI=1S/3C10H10F7N2.C7H8.3Ag/c3*1-7(2,3)5-4-6(19-18-5)8(11,12)9(13,14)10(15,16)17;1-7-5-3-2-4-6-7;;;/h3*4H,1-3H3;2-6H,1H3;;;/q3*-1;;3*+1.
What are the key properties of trisilver;3-tert-butyl-5-(1,1,2,2,3,3,3-heptafluoropropyl)pyrazol-1-ide;bis(5-tert-butyl-3-(1,1,2,2,3,3,3-heptafluoropropyl)pyrazol-1-ide);toluene?
trisilver;3-tert-butyl-5-(1,1,2,2,3,3,3-heptafluoropropyl)pyrazol-1-ide;bis(5-tert-butyl-3-(1,1,2,2,3,3,3-heptafluoropropyl)pyrazol-1-ide);toluene has a molecular weight of 1289.31 g/mol, XLogP of 12.86, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trisilver;3-tert-butyl-5-(1,1,2,2,3,3,3-heptafluoropropyl)pyrazol-1-ide;bis(5-tert-butyl-3-(1,1,2,2,3,3,3-heptafluoropropyl)pyrazol-1-ide);toluene is sourced from PubChem (CID 139129026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).