disilver;bis(acetonitrile);bis(2,6-bis[bis(3,5-dimethylpyrazol-1-yl)methyl]pyridine);ditetrafluoroborate

C58H72Ag2B2F8N20 — CID 139132404

IUPACdisilver;bis(acetonitrile);bis(2,6-bis[bis(3,5-dimethylpyrazol-1-yl)methyl]pyridine);ditetrafluoroborate
SMILESCC#N.CC#N.Cc1cc(C)n(C(c2cccc(C(n3nc(C)cc3C)n3nc(C)cc3C)n2)n2nc(C)cc2C)n1.Cc1cc(C)n(C(c2cccc(C(n3nc(C)cc3C)n3nc(C)cc3C)n2)n2nc(C)cc2C)n1.F[B-](F)(F)F.F[B-](F)(F)F.[Ag+].[Ag+]
InChIInChI=1S/2C27H33N9.2C2H3N.2Ag.2BF4/c2*1-16-12-20(5)33(29-16)26(34-21(6)13-17(2)30-34)24-10-9-11-25(28-24)27(35-22(7)14-18(3)31-35)36-23(8)15-19(4)32-36;2*1-2-3;;;2*2-1(3,4)5/h2*9-15,26-27H,1-8H3;2*1H3;;;;/q;;;;2*+1;2*-1
InChIKeyQZYWQJMEKIVFLM-UHFFFAOYSA-N
MW1438.70 g/mol
LogP12.71
Rot. Bonds12

About disilver;bis(acetonitrile);bis(2,6-bis[bis(3,5-dimethylpyrazol-1-yl)methyl]pyridine);ditetrafluoroborate

disilver;bis(acetonitrile);bis(2,6-bis[bis(3,5-dimethylpyrazol-1-yl)methyl]pyridine);ditetrafluoroborate (PubChem CID 139132404) has the molecular formula C58H72Ag2B2F8N20 and a molecular weight of 1438.70 g/mol. Its IUPAC name is disilver;bis(acetonitrile);bis(2,6-bis[bis(3,5-dimethylpyrazol-1-yl)methyl]pyridine);ditetrafluoroborate.

Molecular Properties

Compound Namedisilver;bis(acetonitrile);bis(2,6-bis[bis(3,5-dimethylpyrazol-1-yl)methyl]pyridine);ditetrafluoroborate
PubChem CID139132404
Molecular FormulaC58H72Ag2B2F8N20
Molecular Weight1438.70 g/mol
Exact Mass1436.44
IUPAC Namedisilver;bis(acetonitrile);bis(2,6-bis[bis(3,5-dimethylpyrazol-1-yl)methyl]pyridine);ditetrafluoroborate
SMILESCC#N.CC#N.Cc1cc(C)n(C(c2cccc(C(n3nc(C)cc3C)n3nc(C)cc3C)n2)n2nc(C)cc2C)n1.Cc1cc(C)n(C(c2cccc(C(n3nc(C)cc3C)n3nc(C)cc3C)n2)n2nc(C)cc2C)n1.F[B-](F)(F)F.F[B-](F)(F)F.[Ag+].[Ag+]
InChIInChI=1S/2C27H33N9.2C2H3N.2Ag.2BF4/c2*1-16-12-20(5)33(29-16)26(34-21(6)13-17(2)30-34)24-10-9-11-25(28-24)27(35-22(7)14-18(3)31-35)36-23(8)15-19(4)32-36;2*1-2-3;;;2*2-1(3,4)5/h2*9-15,26-27H,1-8H3;2*1H3;;;;/q;;;;2*+1;2*-1
InChIKeyQZYWQJMEKIVFLM-UHFFFAOYSA-N
XLogP12.71
TPSA215.92 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds12
Heavy Atoms90
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001438.70
LogP ≤ 512.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

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Related Compounds

[Zn4(bptz)4(CH3CN)8][BF4]8psi4CH3CN
CID 139118830
Fe(II) Square with bptz and [BF4]-
CID 139121869
2,6-Bis[di(pyrazol-1-yl)methyl]pyridine
CID 139132402
Disilver;bis(2,6-bis[di(pyrazol-1-yl)methyl]pyridine);ditetrafluoroborate
CID 139132403
Bis(2,6-bis[(3,5-dimethylpyrazol-1-yl)methyl]pyridine);iron(2+);dihexafluorophosphate
CID 139134037
Acetonitrile;bis(2,6-bis[(3,5-dimethylpyrazol-1-yl)methyl]pyridine);iron(2+);diperchlorate
CID 139134038
1-[Di(pyrazol-1-yl)methyl]pyrazole;2-pyridin-2-ylpyridine;ruthenium(2+);hexafluorophosphate;isothiocyanate
CID 139158171
[Pt2Au2(bpy)2(Me2pz)4](PF6)2
CID 139168208
Bis(acetonitrile);bis(1-benzyl-3-[di(pyrazol-1-yl)methyl]pyrazole);iron(2+);ditetrafluoroborate
CID 139169033
Bis(2,6-bis[(3,5-dimethylpyrazol-1-yl)methyl]pyridine);nickel(2+);dibromide;hydrate
CID 139202339
Tris(acetonitrile);2-[[3-[di(pyrazol-1-yl)methyl]pyrazol-1-yl]methyl]pyridine;iron(2+);ditetrafluoroborate
CID 168342525
Bis(acetonitrile);tetrakis(cobalt(2+));tetrakis(2-pyrazol-1-yl-6-[3-(6-pyrazol-1-yl-2-pyridinyl)pyrazol-1-id-5-yl]pyridine);tetratetrafluoroborate
CID 168344321

Frequently Asked Questions

What is the IUPAC name of disilver;bis(acetonitrile);bis(2,6-bis[bis(3,5-dimethylpyrazol-1-yl)methyl]pyridine);ditetrafluoroborate?
The IUPAC name of disilver;bis(acetonitrile);bis(2,6-bis[bis(3,5-dimethylpyrazol-1-yl)methyl]pyridine);ditetrafluoroborate (CID 139132404) is disilver;bis(acetonitrile);bis(2,6-bis[bis(3,5-dimethylpyrazol-1-yl)methyl]pyridine);ditetrafluoroborate.
What is the SMILES notation for disilver;bis(acetonitrile);bis(2,6-bis[bis(3,5-dimethylpyrazol-1-yl)methyl]pyridine);ditetrafluoroborate?
The canonical SMILES for disilver;bis(acetonitrile);bis(2,6-bis[bis(3,5-dimethylpyrazol-1-yl)methyl]pyridine);ditetrafluoroborate is CC#N.CC#N.Cc1cc(C)n(C(c2cccc(C(n3nc(C)cc3C)n3nc(C)cc3C)n2)n2nc(C)cc2C)n1.Cc1cc(C)n(C(c2cccc(C(n3nc(C)cc3C)n3nc(C)cc3C)n2)n2nc(C)cc2C)n1.F[B-](F)(F)F.F[B-](F)(F)F.[Ag+].[Ag+].
What is the InChIKey of disilver;bis(acetonitrile);bis(2,6-bis[bis(3,5-dimethylpyrazol-1-yl)methyl]pyridine);ditetrafluoroborate?
The InChIKey is QZYWQJMEKIVFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H33N9.2C2H3N.2Ag.2BF4/c2*1-16-12-20(5)33(29-16)26(34-21(6)13-17(2)30-34)24-10-9-11-25(28-24)27(35-22(7)14-18(3)31-35)36-23(8)15-19(4)32-36;2*1-2-3;;;2*2-1(3,4)5/h2*9-15,26-27H,1-8H3;2*1H3;;;;/q;;;;2*+1;2*-1.
What are the key properties of disilver;bis(acetonitrile);bis(2,6-bis[bis(3,5-dimethylpyrazol-1-yl)methyl]pyridine);ditetrafluoroborate?
disilver;bis(acetonitrile);bis(2,6-bis[bis(3,5-dimethylpyrazol-1-yl)methyl]pyridine);ditetrafluoroborate has a molecular weight of 1438.70 g/mol, XLogP of 12.71, 12 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for disilver;bis(acetonitrile);bis(2,6-bis[bis(3,5-dimethylpyrazol-1-yl)methyl]pyridine);ditetrafluoroborate is sourced from PubChem (CID 139132404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).