disilver;acetonitrile;bis(1-[2-[[4-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole);bis(trifluoromethanesulfonate)

C52H55Ag2F6N17O10S2 — CID 139126382

IUPACdisilver;acetonitrile;bis(1-[2-[[4-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole);bis(trifluoromethanesulfonate)
SMILESCC#N.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Ag+].[Ag+].c1cnn(C(COCc2ccc(COCC(n3cccn3)n3cccn3)cc2)n2cccn2)c1.c1cnn(C(COCc2ccc(COCC(n3cccn3)n3cccn3)cc2)n2cccn2)c1
InChIInChI=1S/2C24H26N8O2.C2H3N.2CHF3O3S.2Ag/c2*1-9-25-29(13-1)23(30-14-2-10-26-30)19-33-17-21-5-7-22(8-6-21)18-34-20-24(31-15-3-11-27-31)32-16-4-12-28-32;1-2-3;2*2-1(3,4)8(5,6)7;;/h2*1-16,23-24H,17-20H2;1H3;2*(H,5,6,7);;/q;;;;;2*+1/p-2
InChIKeyHJSAYVCSGJOBBA-UHFFFAOYSA-L
MW1471.98 g/mol
LogP6.63
Rot. Bonds24

About disilver;acetonitrile;bis(1-[2-[[4-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole);bis(trifluoromethanesulfonate)

disilver;acetonitrile;bis(1-[2-[[4-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole);bis(trifluoromethanesulfonate) (PubChem CID 139126382) has the molecular formula C52H55Ag2F6N17O10S2 and a molecular weight of 1471.98 g/mol. Its IUPAC name is disilver;acetonitrile;bis(1-[2-[[4-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole);bis(trifluoromethanesulfonate).

Molecular Properties

Compound Namedisilver;acetonitrile;bis(1-[2-[[4-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole);bis(trifluoromethanesulfonate)
PubChem CID139126382
Molecular FormulaC52H55Ag2F6N17O10S2
Molecular Weight1471.98 g/mol
Exact Mass1469.18
IUPAC Namedisilver;acetonitrile;bis(1-[2-[[4-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole);bis(trifluoromethanesulfonate)
SMILESCC#N.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Ag+].[Ag+].c1cnn(C(COCc2ccc(COCC(n3cccn3)n3cccn3)cc2)n2cccn2)c1.c1cnn(C(COCc2ccc(COCC(n3cccn3)n3cccn3)cc2)n2cccn2)c1
InChIInChI=1S/2C24H26N8O2.C2H3N.2CHF3O3S.2Ag/c2*1-9-25-29(13-1)23(30-14-2-10-26-30)19-33-17-21-5-7-22(8-6-21)18-34-20-24(31-15-3-11-27-31)32-16-4-12-28-32;1-2-3;2*2-1(3,4)8(5,6)7;;/h2*1-16,23-24H,17-20H2;1H3;2*(H,5,6,7);;/q;;;;;2*+1/p-2
InChIKeyHJSAYVCSGJOBBA-UHFFFAOYSA-L
XLogP6.63
TPSA317.67 Ų
H-Bond Donors
H-Bond Acceptors27
Rotatable Bonds24
Heavy Atoms89
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001471.98
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1027

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

Silver;1-[2-[[4-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole;propan-2-one;trifluoromethanesulfonate
CID 139126381
Tetrasilver;tetrakis(acetonitrile);bis(1-[1-pyrazol-1-yl-2-[[2,4,5-tris[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]ethyl]pyrazole);tetrakis(trifluoromethanesulfonate)
CID 139131575
Disilver;acetonitrile;bis(1-[2-[[3-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole);dihexafluorophosphate
CID 139126377
Disilver;bis(1-[2-[[4-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole);propan-2-one;ditetrafluoroborate
CID 139126378
Silver;1-[2-[[4-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole;tetrafluoroborate
CID 139126379
Silver;acetonitrile;1-[2-[[4-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole;hexafluorophosphate
CID 139126380
Disilver;bis(1-[2-[[3-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole);ditetrafluoroborate
CID 139126383
Disilver;bis(1-[2-[[3-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole);bis(propan-2-one);dihexafluorophosphate
CID 139126384
Octasilver;hexakis(acetonitrile);tris(1-[1-pyrazol-1-yl-2-[[2,4,5-tris[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]ethyl]pyrazole);octatetrafluoroborate
CID 139131574
((Fe((3,5-Me2pz)3CH))2(p-C6H4(CH2OCH2C(pz)3)2))(BF4)4(DME)2
CID 139156657
Disilver;acetonitrile;ethoxyethane;1-[1-pyrazol-1-yl-2-[[2,4,5-tris[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]ethyl]pyrazole;bis(trifluoromethanesulfonate)
CID 139131576
Disilver;bis(acetonitrile);bis(1-[[3-[4-[di(pyrazol-1-yl)methyl]phenyl]phenyl]-pyrazol-1-ylmethyl]pyrazole);ethoxyethane;bis(trifluoromethanesulfonate)
CID 139146587

Frequently Asked Questions

What is the IUPAC name of disilver;acetonitrile;bis(1-[2-[[4-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole);bis(trifluoromethanesulfonate)?
The IUPAC name of disilver;acetonitrile;bis(1-[2-[[4-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole);bis(trifluoromethanesulfonate) (CID 139126382) is disilver;acetonitrile;bis(1-[2-[[4-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole);bis(trifluoromethanesulfonate).
What is the SMILES notation for disilver;acetonitrile;bis(1-[2-[[4-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole);bis(trifluoromethanesulfonate)?
The canonical SMILES for disilver;acetonitrile;bis(1-[2-[[4-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole);bis(trifluoromethanesulfonate) is CC#N.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Ag+].[Ag+].c1cnn(C(COCc2ccc(COCC(n3cccn3)n3cccn3)cc2)n2cccn2)c1.c1cnn(C(COCc2ccc(COCC(n3cccn3)n3cccn3)cc2)n2cccn2)c1.
What is the InChIKey of disilver;acetonitrile;bis(1-[2-[[4-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole);bis(trifluoromethanesulfonate)?
The InChIKey is HJSAYVCSGJOBBA-UHFFFAOYSA-L. The full InChI is InChI=1S/2C24H26N8O2.C2H3N.2CHF3O3S.2Ag/c2*1-9-25-29(13-1)23(30-14-2-10-26-30)19-33-17-21-5-7-22(8-6-21)18-34-20-24(31-15-3-11-27-31)32-16-4-12-28-32;1-2-3;2*2-1(3,4)8(5,6)7;;/h2*1-16,23-24H,17-20H2;1H3;2*(H,5,6,7);;/q;;;;;2*+1/p-2.
What are the key properties of disilver;acetonitrile;bis(1-[2-[[4-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole);bis(trifluoromethanesulfonate)?
disilver;acetonitrile;bis(1-[2-[[4-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole);bis(trifluoromethanesulfonate) has a molecular weight of 1471.98 g/mol, XLogP of 6.63, 24 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for disilver;acetonitrile;bis(1-[2-[[4-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole);bis(trifluoromethanesulfonate) is sourced from PubChem (CID 139126382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).