Acetic acid;tris(fluoropalladium(1+));bis((5-methoxy-2-pyridin-2-ylphenyl)-(4-methylphenyl)sulfonylazanide);bis((4-methylphenyl)sulfonyl-(4-methyl-2-pyridin-2-ylphenyl)azanide);bis((4-methylphenyl)sulfonyl-[2-pyridin-2-yl-5-(trifluoromethyl)phenyl]azanide);tris(palladium);hexakis(pyridine)

C₁₅₀H₁₃₈F₉N₁₈O₂₀Pd₆S₆-3 — CID 160586582

About Acetic acid;tris(fluoropalladium(1+));bis((5-methoxy-2-pyridin-2-ylphenyl)-(4-methylphenyl)sulfonylazanide);bis((4-methylphenyl)sulfonyl-(4-methyl-2-pyridin-2-ylphenyl)azanide);bis((4-methylphenyl)sulfonyl-[2-pyridin-2-yl-5-(trifluoromethyl)phenyl]azanide);tris(palladium);hexakis(pyridine)

Acetic acid;tris(fluoropalladium(1+));bis((5-methoxy-2-pyridin-2-ylphenyl)-(4-methylphenyl)sulfonylazanide);bis((4-methylphenyl)sulfonyl-(4-methyl-2-pyridin-2-ylphenyl)azanide);bis((4-methylphenyl)sulfonyl-[2-pyridin-2-yl-5-(trifluoromethyl)phenyl]azanide);tris(palladium);hexakis(pyridine) (PubChem CID 160586582) has the molecular formula C₁₅₀H₁₃₈F₉N₁₈O₂₀Pd₆S₆-3 and a molecular weight of 3514.76 g/mol. Its IUPAC name is acetic acid;tris(fluoropalladium(1+));bis((5-methoxy-2-pyridin-2-ylphenyl)-(4-methylphenyl)sulfonylazanide);bis((4-methylphenyl)sulfonyl-(4-methyl-2-pyridin-2-ylphenyl)azanide);bis((4-methylphenyl)sulfonyl-[2-pyridin-2-yl-5-(trifluoromethyl)phenyl]azanide);tris(palladium);hexakis(pyridine).

Molecular Properties

• Compound Name: Acetic acid;tris(fluoropalladium(1+));bis((5-methoxy-2-pyridin-2-ylphenyl)-(4-methylphenyl)sulfonylazanide);bis((4-methylphenyl)sulfonyl-(4-methyl-2-pyridin-2-ylphenyl)azanide);bis((4-methylphenyl)sulfonyl-[2-pyridin-2-yl-5-(trifluoromethyl)phenyl]azanide);tris(palladium);hexakis(pyridine)
• PubChem CID: 160586582
• Molecular Formula: C₁₅₀H₁₃₈F₉N₁₈O₂₀Pd₆S₆-3
• Molecular Weight: 3514.76 g/mol
• Exact Mass: 3509.27
• IUPAC Name: acetic acid;tris(fluoropalladium(1+));bis((5-methoxy-2-pyridin-2-ylphenyl)-(4-methylphenyl)sulfonylazanide);bis((4-methylphenyl)sulfonyl-(4-methyl-2-pyridin-2-ylphenyl)azanide);bis((4-methylphenyl)sulfonyl-[2-pyridin-2-yl-5-(trifluoromethyl)phenyl]azanide);tris(palladium);hexakis(pyridine)
• SMILES: CC(=O)O.CC(=O)O.CC(=O)O.COc1ccc(-c2ccccn2)c([N-]S(=O)(=O)c2ccc(C)cc2)c1.COc1ccc(-c2ccccn2)c([N-]S(=O)(=O)c2ccc(C)cc2)c1.Cc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2-c2ccccn2)cc1.Cc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2-c2ccccn2)cc1.Cc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2-c2ccccn2)cc1.Cc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2-c2ccccn2)cc1.F[Pd+].F[Pd+].F[Pd+].[Pd].[Pd].[Pd].c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1
• InChI: InChI=1S/2C19H14F3N2O2S.2C19H17N2O3S.2C19H17N2O2S.6C5H5N.3C2H4O2.3FH.6Pd/c2*1-13-5-8-15(9-6-13)27(25,26)24-18-12-14(19(20,21)22)7-10-16(18)17-4-2-3-11-23-17;2*1-14-6-9-16(10-7-14)25(22,23)21-19-13-15(24-2)8-11-17(19)18-5-3-4-12-20-18;2*1-14-6-9-16(10-7-14)24(22,23)21-19-11-8-15(2)13-17(19)18-5-3-4-12-20-18;6*1-2-4-6-5-3-1;3*1-2(3)4;;;;;;;;;/h2*2-12H,1H3;2*3-13H,1-2H3;2*3-13H,1-2H3;6*1-5H;3*1H3,(H,3,4);3*1H;;;;;;/q6*-1;;;;;;;;;;;;;;;;3*+2/p-3
• InChIKey: MUBHTOUHNSMUKZ-UHFFFAOYSA-K
• XLogP: 37.39
• TPSA: 574.48 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 29
• Rotatable Bonds: 26
• Heavy Atoms: 209
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3514.76
LogP ≤ 5	37.39
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of Acetic acid;tris(fluoropalladium(1+));bis((5-methoxy-2-pyridin-2-ylphenyl)-(4-methylphenyl)sulfonylazanide);bis((4-methylphenyl)sulfonyl-(4-methyl-2-pyridin-2-ylphenyl)azanide);bis((4-methylphenyl)sulfonyl-[2-pyridin-2-yl-5-(trifluoromethyl)phenyl]azanide);tris(palladium);hexakis(pyridine)?

The IUPAC name of Acetic acid;tris(fluoropalladium(1+));bis((5-methoxy-2-pyridin-2-ylphenyl)-(4-methylphenyl)sulfonylazanide);bis((4-methylphenyl)sulfonyl-(4-methyl-2-pyridin-2-ylphenyl)azanide);bis((4-methylphenyl)sulfonyl-[2-pyridin-2-yl-5-(trifluoromethyl)phenyl]azanide);tris(palladium);hexakis(pyridine) (CID 160586582) is acetic acid;tris(fluoropalladium(1+));bis((5-methoxy-2-pyridin-2-ylphenyl)-(4-methylphenyl)sulfonylazanide);bis((4-methylphenyl)sulfonyl-(4-methyl-2-pyridin-2-ylphenyl)azanide);bis((4-methylphenyl)sulfonyl-[2-pyridin-2-yl-5-(trifluoromethyl)phenyl]azanide);tris(palladium);hexakis(pyridine).

What is the SMILES notation for Acetic acid;tris(fluoropalladium(1+));bis((5-methoxy-2-pyridin-2-ylphenyl)-(4-methylphenyl)sulfonylazanide);bis((4-methylphenyl)sulfonyl-(4-methyl-2-pyridin-2-ylphenyl)azanide);bis((4-methylphenyl)sulfonyl-[2-pyridin-2-yl-5-(trifluoromethyl)phenyl]azanide);tris(palladium);hexakis(pyridine)?

The canonical SMILES for Acetic acid;tris(fluoropalladium(1+));bis((5-methoxy-2-pyridin-2-ylphenyl)-(4-methylphenyl)sulfonylazanide);bis((4-methylphenyl)sulfonyl-(4-methyl-2-pyridin-2-ylphenyl)azanide);bis((4-methylphenyl)sulfonyl-[2-pyridin-2-yl-5-(trifluoromethyl)phenyl]azanide);tris(palladium);hexakis(pyridine) is CC(=O)O.CC(=O)O.CC(=O)O.COc1ccc(-c2ccccn2)c([N-]S(=O)(=O)c2ccc(C)cc2)c1.COc1ccc(-c2ccccn2)c([N-]S(=O)(=O)c2ccc(C)cc2)c1.Cc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2-c2ccccn2)cc1.Cc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2-c2ccccn2)cc1.Cc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2-c2ccccn2)cc1.Cc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2-c2ccccn2)cc1.F[Pd+].F[Pd+].F[Pd+].[Pd].[Pd].[Pd].c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.

What is the InChIKey of Acetic acid;tris(fluoropalladium(1+));bis((5-methoxy-2-pyridin-2-ylphenyl)-(4-methylphenyl)sulfonylazanide);bis((4-methylphenyl)sulfonyl-(4-methyl-2-pyridin-2-ylphenyl)azanide);bis((4-methylphenyl)sulfonyl-[2-pyridin-2-yl-5-(trifluoromethyl)phenyl]azanide);tris(palladium);hexakis(pyridine)?

The InChIKey is MUBHTOUHNSMUKZ-UHFFFAOYSA-K. The full InChI is InChI=1S/2C19H14F3N2O2S.2C19H17N2O3S.2C19H17N2O2S.6C5H5N.3C2H4O2.3FH.6Pd/c2*1-13-5-8-15(9-6-13)27(25,26)24-18-12-14(19(20,21)22)7-10-16(18)17-4-2-3-11-23-17;2*1-14-6-9-16(10-7-14)25(22,23)21-19-13-15(24-2)8-11-17(19)18-5-3-4-12-20-18;2*1-14-6-9-16(10-7-14)24(22,23)21-19-11-8-15(2)13-17(19)18-5-3-4-12-20-18;6*1-2-4-6-5-3-1;3*1-2(3)4;;;;;;;;;/h2*2-12H,1H3;2*3-13H,1-2H3;2*3-13H,1-2H3;6*1-5H;3*1H3,(H,3,4);3*1H;;;;;;/q6*-1;;;;;;;;;;;;;;;;3*+2/p-3.

What are the key properties of Acetic acid;tris(fluoropalladium(1+));bis((5-methoxy-2-pyridin-2-ylphenyl)-(4-methylphenyl)sulfonylazanide);bis((4-methylphenyl)sulfonyl-(4-methyl-2-pyridin-2-ylphenyl)azanide);bis((4-methylphenyl)sulfonyl-[2-pyridin-2-yl-5-(trifluoromethyl)phenyl]azanide);tris(palladium);hexakis(pyridine)?

Acetic acid;tris(fluoropalladium(1+));bis((5-methoxy-2-pyridin-2-ylphenyl)-(4-methylphenyl)sulfonylazanide);bis((4-methylphenyl)sulfonyl-(4-methyl-2-pyridin-2-ylphenyl)azanide);bis((4-methylphenyl)sulfonyl-[2-pyridin-2-yl-5-(trifluoromethyl)phenyl]azanide);tris(palladium);hexakis(pyridine) has a molecular weight of 3514.76 g/mol, XLogP of 37.39, 26 rotatable bonds, 3 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for Acetic acid;tris(fluoropalladium(1+));bis((5-methoxy-2-pyridin-2-ylphenyl)-(4-methylphenyl)sulfonylazanide);bis((4-methylphenyl)sulfonyl-(4-methyl-2-pyridin-2-ylphenyl)azanide);bis((4-methylphenyl)sulfonyl-[2-pyridin-2-yl-5-(trifluoromethyl)phenyl]azanide);tris(palladium);hexakis(pyridine) is sourced from PubChem (CID 160586582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 160586582 — identifiers, structure, computed properties (public domain)

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