disilver;bis(4-[di(pyrazol-1-yl)methyl]pyridine);oxolane;bis(trifluoromethanesulfonate)

C34H38Ag2F6N10O8S2 — CID 139147451

IUPACdisilver;bis(4-[di(pyrazol-1-yl)methyl]pyridine);oxolane;bis(trifluoromethanesulfonate)
SMILESC1CCOC1.C1CCOC1.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Ag+].[Ag+].c1cnn(C(c2ccncc2)n2cccn2)c1.c1cnn(C(c2ccncc2)n2cccn2)c1
InChIInChI=1S/2C12H11N5.2C4H8O.2CHF3O3S.2Ag/c2*1-5-14-16(9-1)12(17-10-2-6-15-17)11-3-7-13-8-4-11;2*1-2-4-5-3-1;2*2-1(3,4)8(5,6)7;;/h2*1-10,12H;2*1-4H2;2*(H,5,6,7);;/q;;;;;;2*+1/p-2
InChIKeyLOMAUPZZLPTJPL-UHFFFAOYSA-L
MW1108.60 g/mol
LogP4.83
Rot. Bonds6

About disilver;bis(4-[di(pyrazol-1-yl)methyl]pyridine);oxolane;bis(trifluoromethanesulfonate)

disilver;bis(4-[di(pyrazol-1-yl)methyl]pyridine);oxolane;bis(trifluoromethanesulfonate) (PubChem CID 139147451) has the molecular formula C34H38Ag2F6N10O8S2 and a molecular weight of 1108.60 g/mol. Its IUPAC name is disilver;bis(4-[di(pyrazol-1-yl)methyl]pyridine);oxolane;bis(trifluoromethanesulfonate).

Molecular Properties

Compound Namedisilver;bis(4-[di(pyrazol-1-yl)methyl]pyridine);oxolane;bis(trifluoromethanesulfonate)
PubChem CID139147451
Molecular FormulaC34H38Ag2F6N10O8S2
Molecular Weight1108.60 g/mol
Exact Mass1106.03
IUPAC Namedisilver;bis(4-[di(pyrazol-1-yl)methyl]pyridine);oxolane;bis(trifluoromethanesulfonate)
SMILESC1CCOC1.C1CCOC1.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Ag+].[Ag+].c1cnn(C(c2ccncc2)n2cccn2)c1.c1cnn(C(c2ccncc2)n2cccn2)c1
InChIInChI=1S/2C12H11N5.2C4H8O.2CHF3O3S.2Ag/c2*1-5-14-16(9-1)12(17-10-2-6-15-17)11-3-7-13-8-4-11;2*1-2-4-5-3-1;2*2-1(3,4)8(5,6)7;;/h2*1-10,12H;2*1-4H2;2*(H,5,6,7);;/q;;;;;;2*+1/p-2
InChIKeyLOMAUPZZLPTJPL-UHFFFAOYSA-L
XLogP4.83
TPSA229.92 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001108.60
LogP ≤ 54.83
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

Disilver;bis(4-[bis(3,5-dimethylpyrazol-1-yl)methyl]pyridine);bis(trifluoromethanesulfonate)
CID 139147453
Disilver;bis(4-[di(pyrazol-1-yl)methyl]pyridine);ditetrafluoroborate
CID 139146560
Disilver;bis(acetonitrile);bis(1-[[3-[4-[di(pyrazol-1-yl)methyl]phenyl]phenyl]-pyrazol-1-ylmethyl]pyrazole);ethoxyethane;bis(trifluoromethanesulfonate)
CID 139146587
Disilver;bis(difluorophosphinate);bis(4-[di(pyrazol-1-yl)methyl]pyridine);oxolane
CID 139145963

Frequently Asked Questions

What is the IUPAC name of disilver;bis(4-[di(pyrazol-1-yl)methyl]pyridine);oxolane;bis(trifluoromethanesulfonate)?
The IUPAC name of disilver;bis(4-[di(pyrazol-1-yl)methyl]pyridine);oxolane;bis(trifluoromethanesulfonate) (CID 139147451) is disilver;bis(4-[di(pyrazol-1-yl)methyl]pyridine);oxolane;bis(trifluoromethanesulfonate).
What is the SMILES notation for disilver;bis(4-[di(pyrazol-1-yl)methyl]pyridine);oxolane;bis(trifluoromethanesulfonate)?
The canonical SMILES for disilver;bis(4-[di(pyrazol-1-yl)methyl]pyridine);oxolane;bis(trifluoromethanesulfonate) is C1CCOC1.C1CCOC1.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Ag+].[Ag+].c1cnn(C(c2ccncc2)n2cccn2)c1.c1cnn(C(c2ccncc2)n2cccn2)c1.
What is the InChIKey of disilver;bis(4-[di(pyrazol-1-yl)methyl]pyridine);oxolane;bis(trifluoromethanesulfonate)?
The InChIKey is LOMAUPZZLPTJPL-UHFFFAOYSA-L. The full InChI is InChI=1S/2C12H11N5.2C4H8O.2CHF3O3S.2Ag/c2*1-5-14-16(9-1)12(17-10-2-6-15-17)11-3-7-13-8-4-11;2*1-2-4-5-3-1;2*2-1(3,4)8(5,6)7;;/h2*1-10,12H;2*1-4H2;2*(H,5,6,7);;/q;;;;;;2*+1/p-2.
What are the key properties of disilver;bis(4-[di(pyrazol-1-yl)methyl]pyridine);oxolane;bis(trifluoromethanesulfonate)?
disilver;bis(4-[di(pyrazol-1-yl)methyl]pyridine);oxolane;bis(trifluoromethanesulfonate) has a molecular weight of 1108.60 g/mol, XLogP of 4.83, 6 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for disilver;bis(4-[di(pyrazol-1-yl)methyl]pyridine);oxolane;bis(trifluoromethanesulfonate) is sourced from PubChem (CID 139147451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).