disilver;bis(1-[[2-[2-[di(pyrazol-1-yl)methyl]phenyl]phenyl]-pyrazol-1-ylmethyl]pyrazole);bis(trifluoromethanesulfonate)

C54H44Ag2F6N16O6S2 — CID 139146586

IUPACdisilver;bis(1-[[2-[2-[di(pyrazol-1-yl)methyl]phenyl]phenyl]-pyrazol-1-ylmethyl]pyrazole);bis(trifluoromethanesulfonate)
SMILESO=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Ag+].[Ag+].c1ccc(C(n2cccn2)n2cccn2)c(-c2ccccc2C(n2cccn2)n2cccn2)c1.c1ccc(C(n2cccn2)n2cccn2)c(-c2ccccc2C(n2cccn2)n2cccn2)c1
InChIInChI=1S/2C26H22N8.2CHF3O3S.2Ag/c2*1-3-11-23(25(31-17-5-13-27-31)32-18-6-14-28-32)21(9-1)22-10-2-4-12-24(22)26(33-19-7-15-29-33)34-20-8-16-30-34;2*2-1(3,4)8(5,6)7;;/h2*1-20,25-26H;2*(H,5,6,7);;/q;;;;2*+1/p-2
InChIKeySMFXARUQZVUNOX-UHFFFAOYSA-L
MW1406.91 g/mol
LogP8.76
Rot. Bonds14

About disilver;bis(1-[[2-[2-[di(pyrazol-1-yl)methyl]phenyl]phenyl]-pyrazol-1-ylmethyl]pyrazole);bis(trifluoromethanesulfonate)

disilver;bis(1-[[2-[2-[di(pyrazol-1-yl)methyl]phenyl]phenyl]-pyrazol-1-ylmethyl]pyrazole);bis(trifluoromethanesulfonate) (PubChem CID 139146586) has the molecular formula C54H44Ag2F6N16O6S2 and a molecular weight of 1406.91 g/mol. Its IUPAC name is disilver;bis(1-[[2-[2-[di(pyrazol-1-yl)methyl]phenyl]phenyl]-pyrazol-1-ylmethyl]pyrazole);bis(trifluoromethanesulfonate).

Molecular Properties

Compound Namedisilver;bis(1-[[2-[2-[di(pyrazol-1-yl)methyl]phenyl]phenyl]-pyrazol-1-ylmethyl]pyrazole);bis(trifluoromethanesulfonate)
PubChem CID139146586
Molecular FormulaC54H44Ag2F6N16O6S2
Molecular Weight1406.91 g/mol
Exact Mass1404.11
IUPAC Namedisilver;bis(1-[[2-[2-[di(pyrazol-1-yl)methyl]phenyl]phenyl]-pyrazol-1-ylmethyl]pyrazole);bis(trifluoromethanesulfonate)
SMILESO=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Ag+].[Ag+].c1ccc(C(n2cccn2)n2cccn2)c(-c2ccccc2C(n2cccn2)n2cccn2)c1.c1ccc(C(n2cccn2)n2cccn2)c(-c2ccccc2C(n2cccn2)n2cccn2)c1
InChIInChI=1S/2C26H22N8.2CHF3O3S.2Ag/c2*1-3-11-23(25(31-17-5-13-27-31)32-18-6-14-28-32)21(9-1)22-10-2-4-12-24(22)26(33-19-7-15-29-33)34-20-8-16-30-34;2*2-1(3,4)8(5,6)7;;/h2*1-20,25-26H;2*(H,5,6,7);;/q;;;;2*+1/p-2
InChIKeySMFXARUQZVUNOX-UHFFFAOYSA-L
XLogP8.76
TPSA256.96 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds14
Heavy Atoms86
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001406.91
LogP ≤ 58.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

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

mu-oxalato-1kappa^2^O^1^,O^2^:2kappa^2^O^1'^,O^2'^-bis[bis(1-benzyl-1H-pyrazole-kappaN^2^)(trifluoromethanesulfonato-kappaO)copper(II)]
CID 139068503
[Cu^I^4(trif)]^.^C6 H14
CID 139136565
[Ag^I^(trif)]^.^0.5(C3 H6 O)^.^0.5(C4 H10 O)
CID 139136566
Silver;bis(1-[(3-iodophenyl)-pyrazol-1-ylmethyl]pyrazole);trifluoromethanesulfonate
CID 139142403
Disilver;bis(acetonitrile);bis([3-[di(pyrazol-1-yl)methyl]phenyl]-bis(4-methylphenyl)phosphanium);bis(trifluoromethanesulfonate)
CID 168338222
Disilver;bis(trifluoromethanesulfonate);1-[4-[1,2,2-tris(4-pyrazol-1-ylphenyl)ethenyl]phenyl]pyrazole
CID 168343808
Disilver;bis(acetonitrile);bis(1-[[3-[4-[di(pyrazol-1-yl)methyl]phenyl]phenyl]-pyrazol-1-ylmethyl]pyrazole);ethoxyethane;bis(trifluoromethanesulfonate)
CID 139146587
Copper(1+);bis(1-[diphenyl(pyrazol-1-yl)methyl]pyrazole)
CID 50922276
1-[[2-[2-[Di(pyrazol-1-yl)methyl]phenyl]phenyl]-pyrazol-1-ylmethyl]pyrazole
CID 102099674

Frequently Asked Questions

What is the IUPAC name of disilver;bis(1-[[2-[2-[di(pyrazol-1-yl)methyl]phenyl]phenyl]-pyrazol-1-ylmethyl]pyrazole);bis(trifluoromethanesulfonate)?
The IUPAC name of disilver;bis(1-[[2-[2-[di(pyrazol-1-yl)methyl]phenyl]phenyl]-pyrazol-1-ylmethyl]pyrazole);bis(trifluoromethanesulfonate) (CID 139146586) is disilver;bis(1-[[2-[2-[di(pyrazol-1-yl)methyl]phenyl]phenyl]-pyrazol-1-ylmethyl]pyrazole);bis(trifluoromethanesulfonate).
What is the SMILES notation for disilver;bis(1-[[2-[2-[di(pyrazol-1-yl)methyl]phenyl]phenyl]-pyrazol-1-ylmethyl]pyrazole);bis(trifluoromethanesulfonate)?
The canonical SMILES for disilver;bis(1-[[2-[2-[di(pyrazol-1-yl)methyl]phenyl]phenyl]-pyrazol-1-ylmethyl]pyrazole);bis(trifluoromethanesulfonate) is O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Ag+].[Ag+].c1ccc(C(n2cccn2)n2cccn2)c(-c2ccccc2C(n2cccn2)n2cccn2)c1.c1ccc(C(n2cccn2)n2cccn2)c(-c2ccccc2C(n2cccn2)n2cccn2)c1.
What is the InChIKey of disilver;bis(1-[[2-[2-[di(pyrazol-1-yl)methyl]phenyl]phenyl]-pyrazol-1-ylmethyl]pyrazole);bis(trifluoromethanesulfonate)?
The InChIKey is SMFXARUQZVUNOX-UHFFFAOYSA-L. The full InChI is InChI=1S/2C26H22N8.2CHF3O3S.2Ag/c2*1-3-11-23(25(31-17-5-13-27-31)32-18-6-14-28-32)21(9-1)22-10-2-4-12-24(22)26(33-19-7-15-29-33)34-20-8-16-30-34;2*2-1(3,4)8(5,6)7;;/h2*1-20,25-26H;2*(H,5,6,7);;/q;;;;2*+1/p-2.
What are the key properties of disilver;bis(1-[[2-[2-[di(pyrazol-1-yl)methyl]phenyl]phenyl]-pyrazol-1-ylmethyl]pyrazole);bis(trifluoromethanesulfonate)?
disilver;bis(1-[[2-[2-[di(pyrazol-1-yl)methyl]phenyl]phenyl]-pyrazol-1-ylmethyl]pyrazole);bis(trifluoromethanesulfonate) has a molecular weight of 1406.91 g/mol, XLogP of 8.76, 14 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for disilver;bis(1-[[2-[2-[di(pyrazol-1-yl)methyl]phenyl]phenyl]-pyrazol-1-ylmethyl]pyrazole);bis(trifluoromethanesulfonate) is sourced from PubChem (CID 139146586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).