bis(bis(trifluoromethylsulfonyl)azanide);bis(2,6-dipyridin-2-ylpyridine);bis(palladium(2+));dinitrate

C34H22F12N10O14Pd2S4 — CID 139149293

IUPACbis(bis(trifluoromethylsulfonyl)azanide);bis(2,6-dipyridin-2-ylpyridine);bis(palladium(2+));dinitrate
SMILESO=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Pd+2].[Pd+2].c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1
InChIInChI=1S/2C15H11N3.2C2F6NO4S2.2NO3.2Pd/c2*1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;2*3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;2*2-1(3)4;;/h2*1-11H;;;;;;/q;;4*-1;2*+2
InChIKeyVTKAUJMPKZUMGY-UHFFFAOYSA-N
MW1363.69 g/mol
LogP8.05
Rot. Bonds8

About bis(bis(trifluoromethylsulfonyl)azanide);bis(2,6-dipyridin-2-ylpyridine);bis(palladium(2+));dinitrate

bis(bis(trifluoromethylsulfonyl)azanide);bis(2,6-dipyridin-2-ylpyridine);bis(palladium(2+));dinitrate (PubChem CID 139149293) has the molecular formula C34H22F12N10O14Pd2S4 and a molecular weight of 1363.69 g/mol. Its IUPAC name is bis(bis(trifluoromethylsulfonyl)azanide);bis(2,6-dipyridin-2-ylpyridine);bis(palladium(2+));dinitrate.

Molecular Properties

Compound Namebis(bis(trifluoromethylsulfonyl)azanide);bis(2,6-dipyridin-2-ylpyridine);bis(palladium(2+));dinitrate
PubChem CID139149293
Molecular FormulaC34H22F12N10O14Pd2S4
Molecular Weight1363.69 g/mol
Exact Mass1361.81
IUPAC Namebis(bis(trifluoromethylsulfonyl)azanide);bis(2,6-dipyridin-2-ylpyridine);bis(palladium(2+));dinitrate
SMILESO=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Pd+2].[Pd+2].c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1
InChIInChI=1S/2C15H11N3.2C2F6NO4S2.2NO3.2Pd/c2*1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;2*3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;2*2-1(3)4;;/h2*1-11H;;;;;;/q;;4*-1;2*+2
InChIKeyVTKAUJMPKZUMGY-UHFFFAOYSA-N
XLogP8.05
TPSA374.50 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds8
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001363.69
LogP ≤ 58.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tris-(2,2'-bipyridine)cobalt(III)tri(bis(trifluoromethane)sulfonimide)
CID 168434989
tris-(2,2'-bipyridine)cobalt(II)di(bis(trifluoromethane)sulfonimide)
CID 170898766
iron(2+);1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine;bis(trifluoromethanesulfonate)
CID 53350275
bis(1-N,2-N-dimethyl-1-N,2-N-bis(pyridin-2-ylmethyl)cyclohexane-1,2-diamine);iron(2+);iron(3+);oxygen(2-);bis(trifluoromethanesulfonate);hydroxide
CID 53350282
Bis(palladium(2+));bis(2-pyridin-2-ylpyridine);bis(trifluoromethanesulfonate);dihydroxide
CID 139039543
[(S)-(pmpp)Mn(CF3SO3)2
CID 139040573
Cobalt(2+);2-pyridin-2-yl-6-[3-(6-pyridin-2-yl-2-pyridinyl)propyl]pyridine;bis(trifluoromethanesulfonate)
CID 139042189
ZINC;bis(2-pyridin-2-ylpyridine);bis(trifluoromethanesulfonate)
CID 139048111
Di-mu-hydroxo-bis[(2,2'-bipyridine)palladium(II)] trifluoromethanesulfonate
CID 139069164
[mu-1,2-Bis(4-pyridyl)ethane-kappa^2^N:N']bis[(4'-phenyl-2,2':6',2''-terpyridine-kappa^3^N,N',N'')silver(I)] bis(trifluoromethanesulfonate)
CID 139080008
Hexakis(acetonitrile);tetrakis(2,6-dipyridin-2-ylpyridine);tetrakis(rhodium);tetrakis(trifluoromethanesulfonate)
CID 139106827
Tetrakis(acetonitrile);bis(2,6-dipyridin-2-ylpyridine);bis(rhodium(2+));tetrakis(trifluoromethanesulfonate)
CID 139106828

Frequently Asked Questions

What is the IUPAC name of bis(bis(trifluoromethylsulfonyl)azanide);bis(2,6-dipyridin-2-ylpyridine);bis(palladium(2+));dinitrate?
The IUPAC name of bis(bis(trifluoromethylsulfonyl)azanide);bis(2,6-dipyridin-2-ylpyridine);bis(palladium(2+));dinitrate (CID 139149293) is bis(bis(trifluoromethylsulfonyl)azanide);bis(2,6-dipyridin-2-ylpyridine);bis(palladium(2+));dinitrate.
What is the SMILES notation for bis(bis(trifluoromethylsulfonyl)azanide);bis(2,6-dipyridin-2-ylpyridine);bis(palladium(2+));dinitrate?
The canonical SMILES for bis(bis(trifluoromethylsulfonyl)azanide);bis(2,6-dipyridin-2-ylpyridine);bis(palladium(2+));dinitrate is O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Pd+2].[Pd+2].c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1.
What is the InChIKey of bis(bis(trifluoromethylsulfonyl)azanide);bis(2,6-dipyridin-2-ylpyridine);bis(palladium(2+));dinitrate?
The InChIKey is VTKAUJMPKZUMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H11N3.2C2F6NO4S2.2NO3.2Pd/c2*1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;2*3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;2*2-1(3)4;;/h2*1-11H;;;;;;/q;;4*-1;2*+2.
What are the key properties of bis(bis(trifluoromethylsulfonyl)azanide);bis(2,6-dipyridin-2-ylpyridine);bis(palladium(2+));dinitrate?
bis(bis(trifluoromethylsulfonyl)azanide);bis(2,6-dipyridin-2-ylpyridine);bis(palladium(2+));dinitrate has a molecular weight of 1363.69 g/mol, XLogP of 8.05, 8 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for bis(bis(trifluoromethylsulfonyl)azanide);bis(2,6-dipyridin-2-ylpyridine);bis(palladium(2+));dinitrate is sourced from PubChem (CID 139149293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).