acetic acid;tris(fluoropalladium(1+));[5-methoxy-3-methyl-2-(5-methyl-2-pyridinyl)phenyl]-(4-methylphenyl)sulfonylazanide;[5-methoxy-2-(5-methyl-2-pyridinyl)phenyl]-(4-methylphenyl)sulfonylazanide;(4-methylphenyl)sulfonyl-(3-methyl-2-pyridin-2-ylphenyl)azanide;(4-methylphenyl)sulfonyl-(2-pyridin-2-ylphenyl)azanide;bis((4-methylphenyl)sulfonyl-[2-pyridin-2-yl-5-(trifluoromethyl)phenyl]azanide);tris(palladium);hexakis(pyridine)

C152H142F9N18O20Pd6S6-3 — CID 158619935

About acetic acid;tris(fluoropalladium(1+));[5-methoxy-3-methyl-2-(5-methyl-2-pyridinyl)phenyl]-(4-methylphenyl)sulfonylazanide;[5-methoxy-2-(5-methyl-2-pyridinyl)phenyl]-(4-methylphenyl)sulfonylazanide;(4-methylphenyl)sulfonyl-(3-methyl-2-pyridin-2-ylphenyl)azanide;(4-methylphenyl)sulfonyl-(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+));[5-methoxy-3-methyl-2-(5-methyl-2-pyridinyl)phenyl]-(4-methylphenyl)sulfonylazanide;[5-methoxy-2-(5-methyl-2-pyridinyl)phenyl]-(4-methylphenyl)sulfonylazanide;(4-methylphenyl)sulfonyl-(3-methyl-2-pyridin-2-ylphenyl)azanide;(4-methylphenyl)sulfonyl-(2-pyridin-2-ylphenyl)azanide;bis((4-methylphenyl)sulfonyl-[2-pyridin-2-yl-5-(trifluoromethyl)phenyl]azanide);tris(palladium);hexakis(pyridine) (PubChem CID 158619935) has the molecular formula C152H142F9N18O20Pd6S6-3 and a molecular weight of 3542.82 g/mol. Its IUPAC name is acetic acid;tris(fluoropalladium(1+));[5-methoxy-3-methyl-2-(5-methyl-2-pyridinyl)phenyl]-(4-methylphenyl)sulfonylazanide;[5-methoxy-2-(5-methyl-2-pyridinyl)phenyl]-(4-methylphenyl)sulfonylazanide;(4-methylphenyl)sulfonyl-(3-methyl-2-pyridin-2-ylphenyl)azanide;(4-methylphenyl)sulfonyl-(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+));[5-methoxy-3-methyl-2-(5-methyl-2-pyridinyl)phenyl]-(4-methylphenyl)sulfonylazanide;[5-methoxy-2-(5-methyl-2-pyridinyl)phenyl]-(4-methylphenyl)sulfonylazanide;(4-methylphenyl)sulfonyl-(3-methyl-2-pyridin-2-ylphenyl)azanide;(4-methylphenyl)sulfonyl-(2-pyridin-2-ylphenyl)azanide;bis((4-methylphenyl)sulfonyl-[2-pyridin-2-yl-5-(trifluoromethyl)phenyl]azanide);tris(palladium);hexakis(pyridine)
• PubChem CID: 158619935
• Molecular Formula: C152H142F9N18O20Pd6S6-3
• Molecular Weight: 3542.82 g/mol
• Exact Mass: 3537.31
• IUPAC Name: acetic acid;tris(fluoropalladium(1+));[5-methoxy-3-methyl-2-(5-methyl-2-pyridinyl)phenyl]-(4-methylphenyl)sulfonylazanide;[5-methoxy-2-(5-methyl-2-pyridinyl)phenyl]-(4-methylphenyl)sulfonylazanide;(4-methylphenyl)sulfonyl-(3-methyl-2-pyridin-2-ylphenyl)azanide;(4-methylphenyl)sulfonyl-(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.COc1cc(C)c(-c2ccc(C)cn2)c([N-]S(=O)(=O)c2ccc(C)cc2)c1.COc1ccc(-c2ccc(C)cn2)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-]c2cccc(C)c2-c2ccccn2)cc1.Cc1ccc(S(=O)(=O)[N-]c2ccccc2-c2ccccn2)cc1.F[Pd+].F[Pd+].F[Pd+].[Pd].[Pd].[Pd].c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1
• InChI: InChI=1S/C21H21N2O3S.C20H19N2O3S.2C19H14F3N2O2S.C19H17N2O2S.C18H15N2O2S.6C5H5N.3C2H4O2.3FH.6Pd/c1-14-5-8-18(9-6-14)27(24,25)23-20-12-17(26-4)11-16(3)21(20)19-10-7-15(2)13-22-19;1-14-4-8-17(9-5-14)26(23,24)22-20-12-16(25-3)7-10-18(20)19-11-6-15(2)13-21-19;2*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;1-14-9-11-16(12-10-14)24(22,23)21-18-8-5-6-15(2)19(18)17-7-3-4-13-20-17;1-14-9-11-15(12-10-14)23(21,22)20-18-8-3-2-6-16(18)17-7-4-5-13-19-17;6*1-2-4-6-5-3-1;3*1-2(3)4;;;;;;;;;/h5-13H,1-4H3;4-13H,1-3H3;2*2-12H,1H3;3-13H,1-2H3;2-13H,1H3;6*1-5H;3*1H3,(H,3,4);3*1H;;;;;;/q6*-1;;;;;;;;;;;;;;;;3*+2/p-3
• InChIKey: UJRDFGCKMYAERI-UHFFFAOYSA-K
• XLogP: 38.00
• TPSA: 574.48 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 29
• Rotatable Bonds: 26
• Heavy Atoms: 211
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3542.82
LogP ≤ 5	38.00
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of acetic acid;tris(fluoropalladium(1+));[5-methoxy-3-methyl-2-(5-methyl-2-pyridinyl)phenyl]-(4-methylphenyl)sulfonylazanide;[5-methoxy-2-(5-methyl-2-pyridinyl)phenyl]-(4-methylphenyl)sulfonylazanide;(4-methylphenyl)sulfonyl-(3-methyl-2-pyridin-2-ylphenyl)azanide;(4-methylphenyl)sulfonyl-(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+));[5-methoxy-3-methyl-2-(5-methyl-2-pyridinyl)phenyl]-(4-methylphenyl)sulfonylazanide;[5-methoxy-2-(5-methyl-2-pyridinyl)phenyl]-(4-methylphenyl)sulfonylazanide;(4-methylphenyl)sulfonyl-(3-methyl-2-pyridin-2-ylphenyl)azanide;(4-methylphenyl)sulfonyl-(2-pyridin-2-ylphenyl)azanide;bis((4-methylphenyl)sulfonyl-[2-pyridin-2-yl-5-(trifluoromethyl)phenyl]azanide);tris(palladium);hexakis(pyridine) (CID 158619935) is acetic acid;tris(fluoropalladium(1+));[5-methoxy-3-methyl-2-(5-methyl-2-pyridinyl)phenyl]-(4-methylphenyl)sulfonylazanide;[5-methoxy-2-(5-methyl-2-pyridinyl)phenyl]-(4-methylphenyl)sulfonylazanide;(4-methylphenyl)sulfonyl-(3-methyl-2-pyridin-2-ylphenyl)azanide;(4-methylphenyl)sulfonyl-(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+));[5-methoxy-3-methyl-2-(5-methyl-2-pyridinyl)phenyl]-(4-methylphenyl)sulfonylazanide;[5-methoxy-2-(5-methyl-2-pyridinyl)phenyl]-(4-methylphenyl)sulfonylazanide;(4-methylphenyl)sulfonyl-(3-methyl-2-pyridin-2-ylphenyl)azanide;(4-methylphenyl)sulfonyl-(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+));[5-methoxy-3-methyl-2-(5-methyl-2-pyridinyl)phenyl]-(4-methylphenyl)sulfonylazanide;[5-methoxy-2-(5-methyl-2-pyridinyl)phenyl]-(4-methylphenyl)sulfonylazanide;(4-methylphenyl)sulfonyl-(3-methyl-2-pyridin-2-ylphenyl)azanide;(4-methylphenyl)sulfonyl-(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.COc1cc(C)c(-c2ccc(C)cn2)c([N-]S(=O)(=O)c2ccc(C)cc2)c1.COc1ccc(-c2ccc(C)cn2)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-]c2cccc(C)c2-c2ccccn2)cc1.Cc1ccc(S(=O)(=O)[N-]c2ccccc2-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+));[5-methoxy-3-methyl-2-(5-methyl-2-pyridinyl)phenyl]-(4-methylphenyl)sulfonylazanide;[5-methoxy-2-(5-methyl-2-pyridinyl)phenyl]-(4-methylphenyl)sulfonylazanide;(4-methylphenyl)sulfonyl-(3-methyl-2-pyridin-2-ylphenyl)azanide;(4-methylphenyl)sulfonyl-(2-pyridin-2-ylphenyl)azanide;bis((4-methylphenyl)sulfonyl-[2-pyridin-2-yl-5-(trifluoromethyl)phenyl]azanide);tris(palladium);hexakis(pyridine)?

The InChIKey is UJRDFGCKMYAERI-UHFFFAOYSA-K. The full InChI is InChI=1S/C21H21N2O3S.C20H19N2O3S.2C19H14F3N2O2S.C19H17N2O2S.C18H15N2O2S.6C5H5N.3C2H4O2.3FH.6Pd/c1-14-5-8-18(9-6-14)27(24,25)23-20-12-17(26-4)11-16(3)21(20)19-10-7-15(2)13-22-19;1-14-4-8-17(9-5-14)26(23,24)22-20-12-16(25-3)7-10-18(20)19-11-6-15(2)13-21-19;2*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;1-14-9-11-16(12-10-14)24(22,23)21-18-8-5-6-15(2)19(18)17-7-3-4-13-20-17;1-14-9-11-15(12-10-14)23(21,22)20-18-8-3-2-6-16(18)17-7-4-5-13-19-17;6*1-2-4-6-5-3-1;3*1-2(3)4;;;;;;;;;/h5-13H,1-4H3;4-13H,1-3H3;2*2-12H,1H3;3-13H,1-2H3;2-13H,1H3;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+));[5-methoxy-3-methyl-2-(5-methyl-2-pyridinyl)phenyl]-(4-methylphenyl)sulfonylazanide;[5-methoxy-2-(5-methyl-2-pyridinyl)phenyl]-(4-methylphenyl)sulfonylazanide;(4-methylphenyl)sulfonyl-(3-methyl-2-pyridin-2-ylphenyl)azanide;(4-methylphenyl)sulfonyl-(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+));[5-methoxy-3-methyl-2-(5-methyl-2-pyridinyl)phenyl]-(4-methylphenyl)sulfonylazanide;[5-methoxy-2-(5-methyl-2-pyridinyl)phenyl]-(4-methylphenyl)sulfonylazanide;(4-methylphenyl)sulfonyl-(3-methyl-2-pyridin-2-ylphenyl)azanide;(4-methylphenyl)sulfonyl-(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 3542.82 g/mol, XLogP of 38.00, 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+));[5-methoxy-3-methyl-2-(5-methyl-2-pyridinyl)phenyl]-(4-methylphenyl)sulfonylazanide;[5-methoxy-2-(5-methyl-2-pyridinyl)phenyl]-(4-methylphenyl)sulfonylazanide;(4-methylphenyl)sulfonyl-(3-methyl-2-pyridin-2-ylphenyl)azanide;(4-methylphenyl)sulfonyl-(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 158619935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).