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

C176H164F9N21O24Pd7S7-4 — CID 161413476

IUPACacetic acid;tris(fluoropalladium(1+));bis((5-methoxy-2-pyridin-2-ylphenyl)-(4-methylphenyl)sulfonylazanide);(4-methylphenyl)sulfonyl-[2-(5-methyl-2-pyridinyl)phenyl]azanide;bis((4-methylphenyl)sulfonyl-(3-methyl-2-pyridin-2-ylphenyl)azanide);bis((4-methylphenyl)sulfonyl-[2-pyridin-2-yl-5-(trifluoromethyl)phenyl]azanide);tetrakis(palladium);heptakis(pyridine)
SMILESCC(=O)O.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-]c2cccc(C)c2-c2ccccn2)cc1.Cc1ccc(S(=O)(=O)[N-]c2cccc(C)c2-c2ccccn2)cc1.Cc1ccc(S(=O)(=O)[N-]c2ccccc2-c2ccc(C)cn2)cc1.F[Pd+].F[Pd+].F[Pd+].[Pd].[Pd].[Pd].[Pd].c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1
InChIInChI=1S/2C19H14F3N2O2S.2C19H17N2O3S.3C19H17N2O2S.7C5H5N.4C2H4O2.3FH.7Pd/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*1-14-9-11-16(12-10-14)24(22,23)21-18-8-5-6-15(2)19(18)17-7-3-4-13-20-17;1-14-7-10-16(11-8-14)24(22,23)21-19-6-4-3-5-17(19)18-12-9-15(2)13-20-18;7*1-2-4-6-5-3-1;4*1-2(3)4;;;;;;;;;;/h2*2-12H,1H3;2*3-13H,1-2H3;3*3-13H,1-2H3;7*1-5H;4*1H3,(H,3,4);3*1H;;;;;;;/q7*-1;;;;;;;;;;;;;;;;;;;3*+2/p-3
InChIKeyXBUOEOPVUIAAQP-UHFFFAOYSA-K
MW4097.76 g/mol
LogP43.32
Rot. Bonds30

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

acetic acid;tris(fluoropalladium(1+));bis((5-methoxy-2-pyridin-2-ylphenyl)-(4-methylphenyl)sulfonylazanide);(4-methylphenyl)sulfonyl-[2-(5-methyl-2-pyridinyl)phenyl]azanide;bis((4-methylphenyl)sulfonyl-(3-methyl-2-pyridin-2-ylphenyl)azanide);bis((4-methylphenyl)sulfonyl-[2-pyridin-2-yl-5-(trifluoromethyl)phenyl]azanide);tetrakis(palladium);heptakis(pyridine) (PubChem CID 161413476) has the molecular formula C176H164F9N21O24Pd7S7-4 and a molecular weight of 4097.76 g/mol. Its IUPAC name is acetic acid;tris(fluoropalladium(1+));bis((5-methoxy-2-pyridin-2-ylphenyl)-(4-methylphenyl)sulfonylazanide);(4-methylphenyl)sulfonyl-[2-(5-methyl-2-pyridinyl)phenyl]azanide;bis((4-methylphenyl)sulfonyl-(3-methyl-2-pyridin-2-ylphenyl)azanide);bis((4-methylphenyl)sulfonyl-[2-pyridin-2-yl-5-(trifluoromethyl)phenyl]azanide);tetrakis(palladium);heptakis(pyridine).

Molecular Properties

Compound Nameacetic acid;tris(fluoropalladium(1+));bis((5-methoxy-2-pyridin-2-ylphenyl)-(4-methylphenyl)sulfonylazanide);(4-methylphenyl)sulfonyl-[2-(5-methyl-2-pyridinyl)phenyl]azanide;bis((4-methylphenyl)sulfonyl-(3-methyl-2-pyridin-2-ylphenyl)azanide);bis((4-methylphenyl)sulfonyl-[2-pyridin-2-yl-5-(trifluoromethyl)phenyl]azanide);tetrakis(palladium);heptakis(pyridine)
PubChem CID161413476
Molecular FormulaC176H164F9N21O24Pd7S7-4
Molecular Weight4097.76 g/mol
Exact Mass4091.34
IUPAC Nameacetic acid;tris(fluoropalladium(1+));bis((5-methoxy-2-pyridin-2-ylphenyl)-(4-methylphenyl)sulfonylazanide);(4-methylphenyl)sulfonyl-[2-(5-methyl-2-pyridinyl)phenyl]azanide;bis((4-methylphenyl)sulfonyl-(3-methyl-2-pyridin-2-ylphenyl)azanide);bis((4-methylphenyl)sulfonyl-[2-pyridin-2-yl-5-(trifluoromethyl)phenyl]azanide);tetrakis(palladium);heptakis(pyridine)
SMILESCC(=O)O.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-]c2cccc(C)c2-c2ccccn2)cc1.Cc1ccc(S(=O)(=O)[N-]c2cccc(C)c2-c2ccccn2)cc1.Cc1ccc(S(=O)(=O)[N-]c2ccccc2-c2ccc(C)cn2)cc1.F[Pd+].F[Pd+].F[Pd+].[Pd].[Pd].[Pd].[Pd].c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1
InChIInChI=1S/2C19H14F3N2O2S.2C19H17N2O3S.3C19H17N2O2S.7C5H5N.4C2H4O2.3FH.7Pd/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*1-14-9-11-16(12-10-14)24(22,23)21-18-8-5-6-15(2)19(18)17-7-3-4-13-20-17;1-14-7-10-16(11-8-14)24(22,23)21-19-6-4-3-5-17(19)18-12-9-15(2)13-20-18;7*1-2-4-6-5-3-1;4*1-2(3)4;;;;;;;;;;/h2*2-12H,1H3;2*3-13H,1-2H3;3*3-13H,1-2H3;7*1-5H;4*1H3,(H,3,4);3*1H;;;;;;;/q7*-1;;;;;;;;;;;;;;;;;;;3*+2/p-3
InChIKeyXBUOEOPVUIAAQP-UHFFFAOYSA-K
XLogP43.32
TPSA685.80 Ų
H-Bond Donors4
H-Bond Acceptors34
Rotatable Bonds30
Heavy Atoms244
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004097.76
LogP ≤ 543.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1034

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

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Related Compounds

Acetic acid;tris(fluoropalladium(1+));bis((5-methoxy-2-pyridin-2-ylphenyl)-(4-methylphenyl)sulfonylazanide);(4-methylphenyl)sulfonyl-(3-methyl-2-pyridin-2-ylphenyl)azanide;(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 158222638
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
2-[(3-Isoquinolin-4-yl-4-pyridinyl)sulfanyl]-2-methylpropanoic acid;2-[(3-isoquinolin-5-yl-4-pyridinyl)sulfanyl]-2-methylpropanoic acid;2-[[3-(6-methoxynaphthalen-2-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(6-methoxy-3-pyridinyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[[3-(4-methylnaphthalen-1-yl)-4-pyridinyl]sulfanyl]propanoic acid;2-methyl-2-[(3-naphthalen-1-yl-4-pyridinyl)sulfanyl]propanoic acid;2-methyl-2-[(3-pyridin-3-yl-4-pyridinyl)sulfanyl]propanoic acid;2-methyl-2-[(3-quinolin-3-yl-4-pyridinyl)sulfanyl]propanoic acid;2-methyl-2-[[3-(4-sulfamoylphenyl)-4-pyridinyl]sulfanyl]propanoic acid;2-methyl-2-[[3-[4-(trifluoromethyl)phenyl]-4-pyridinyl]sulfanyl]propanoic acid
CID 159915965
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
Acetic acid;bis(fluoropalladium(1+));bis((5-methoxy-2-pyridin-2-ylphenyl)-(4-methylphenyl)sulfonylazanide);bis((4-methylphenyl)sulfonyl-(4-methyl-2-pyridin-2-ylphenyl)azanide);(4-methylphenyl)sulfonyl-[2-pyridin-2-yl-5-(trifluoromethyl)phenyl]azanide;tris(palladium);pentakis(pyridine)
CID 160890198
3,4-dihydro-1H-pyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;11-methoxy-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;12-methoxy-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;1-methoxy-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;3-methyl-4-phenyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;12-methyl-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;3-phenyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide
CID 162214867
Acetic acid;(5-methoxy-2-pyridin-2-ylphenyl)-(4-methylphenyl)sulfonylazanide;palladium;pyridine
CID 58174394
Acetic acid;bis(benzo[h]quinolin-10-yl-(4-methoxyphenyl)sulfonylazanide);bis[(sulfanylidene-lambda4-sulfanylidene)-lambda4-sulfanylidene]-lambda4-sulfane;chloropalladium(1+);ethanone;oxosilver;palladium;bis(pyridine);sulfanylidene-[[[[(sulfanylidene-lambda4-sulfanylidene)-lambda4-sulfanylidene]-lambda4-sulfanylidene]-lambda4-sulfanylidene]-lambda4-sulfanylidene]-lambda4-sulfane
CID 158005642
Acetic acid;fluoropalladium(1+);bis((4-methoxyphenyl)sulfonyl-(2-pyridin-2-ylphenyl)azanide);palladium;bis(pyridine)
CID 160594687
Acetic acid;bis((5-tert-butyl-2-pyridin-2-ylphenyl)-(4-methylphenyl)sulfonylazanide);tris(fluoropalladium(1+));bis((5-methoxy-2-pyridin-2-ylphenyl)-(4-methylphenyl)sulfonylazanide);bis((4-methylphenyl)sulfonyl-(4-methyl-2-pyridin-2-ylphenyl)azanide);tris(palladium);hexakis(pyridine)
CID 160640075

Frequently Asked Questions

What is the IUPAC name of acetic acid;tris(fluoropalladium(1+));bis((5-methoxy-2-pyridin-2-ylphenyl)-(4-methylphenyl)sulfonylazanide);(4-methylphenyl)sulfonyl-[2-(5-methyl-2-pyridinyl)phenyl]azanide;bis((4-methylphenyl)sulfonyl-(3-methyl-2-pyridin-2-ylphenyl)azanide);bis((4-methylphenyl)sulfonyl-[2-pyridin-2-yl-5-(trifluoromethyl)phenyl]azanide);tetrakis(palladium);heptakis(pyridine)?
The IUPAC name of acetic acid;tris(fluoropalladium(1+));bis((5-methoxy-2-pyridin-2-ylphenyl)-(4-methylphenyl)sulfonylazanide);(4-methylphenyl)sulfonyl-[2-(5-methyl-2-pyridinyl)phenyl]azanide;bis((4-methylphenyl)sulfonyl-(3-methyl-2-pyridin-2-ylphenyl)azanide);bis((4-methylphenyl)sulfonyl-[2-pyridin-2-yl-5-(trifluoromethyl)phenyl]azanide);tetrakis(palladium);heptakis(pyridine) (CID 161413476) is acetic acid;tris(fluoropalladium(1+));bis((5-methoxy-2-pyridin-2-ylphenyl)-(4-methylphenyl)sulfonylazanide);(4-methylphenyl)sulfonyl-[2-(5-methyl-2-pyridinyl)phenyl]azanide;bis((4-methylphenyl)sulfonyl-(3-methyl-2-pyridin-2-ylphenyl)azanide);bis((4-methylphenyl)sulfonyl-[2-pyridin-2-yl-5-(trifluoromethyl)phenyl]azanide);tetrakis(palladium);heptakis(pyridine).
What is the SMILES notation for acetic acid;tris(fluoropalladium(1+));bis((5-methoxy-2-pyridin-2-ylphenyl)-(4-methylphenyl)sulfonylazanide);(4-methylphenyl)sulfonyl-[2-(5-methyl-2-pyridinyl)phenyl]azanide;bis((4-methylphenyl)sulfonyl-(3-methyl-2-pyridin-2-ylphenyl)azanide);bis((4-methylphenyl)sulfonyl-[2-pyridin-2-yl-5-(trifluoromethyl)phenyl]azanide);tetrakis(palladium);heptakis(pyridine)?
The canonical SMILES for acetic acid;tris(fluoropalladium(1+));bis((5-methoxy-2-pyridin-2-ylphenyl)-(4-methylphenyl)sulfonylazanide);(4-methylphenyl)sulfonyl-[2-(5-methyl-2-pyridinyl)phenyl]azanide;bis((4-methylphenyl)sulfonyl-(3-methyl-2-pyridin-2-ylphenyl)azanide);bis((4-methylphenyl)sulfonyl-[2-pyridin-2-yl-5-(trifluoromethyl)phenyl]azanide);tetrakis(palladium);heptakis(pyridine) is CC(=O)O.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-]c2cccc(C)c2-c2ccccn2)cc1.Cc1ccc(S(=O)(=O)[N-]c2cccc(C)c2-c2ccccn2)cc1.Cc1ccc(S(=O)(=O)[N-]c2ccccc2-c2ccc(C)cn2)cc1.F[Pd+].F[Pd+].F[Pd+].[Pd].[Pd].[Pd].[Pd].c1ccncc1.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);(4-methylphenyl)sulfonyl-[2-(5-methyl-2-pyridinyl)phenyl]azanide;bis((4-methylphenyl)sulfonyl-(3-methyl-2-pyridin-2-ylphenyl)azanide);bis((4-methylphenyl)sulfonyl-[2-pyridin-2-yl-5-(trifluoromethyl)phenyl]azanide);tetrakis(palladium);heptakis(pyridine)?
The InChIKey is XBUOEOPVUIAAQP-UHFFFAOYSA-K. The full InChI is InChI=1S/2C19H14F3N2O2S.2C19H17N2O3S.3C19H17N2O2S.7C5H5N.4C2H4O2.3FH.7Pd/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*1-14-9-11-16(12-10-14)24(22,23)21-18-8-5-6-15(2)19(18)17-7-3-4-13-20-17;1-14-7-10-16(11-8-14)24(22,23)21-19-6-4-3-5-17(19)18-12-9-15(2)13-20-18;7*1-2-4-6-5-3-1;4*1-2(3)4;;;;;;;;;;/h2*2-12H,1H3;2*3-13H,1-2H3;3*3-13H,1-2H3;7*1-5H;4*1H3,(H,3,4);3*1H;;;;;;;/q7*-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);(4-methylphenyl)sulfonyl-[2-(5-methyl-2-pyridinyl)phenyl]azanide;bis((4-methylphenyl)sulfonyl-(3-methyl-2-pyridin-2-ylphenyl)azanide);bis((4-methylphenyl)sulfonyl-[2-pyridin-2-yl-5-(trifluoromethyl)phenyl]azanide);tetrakis(palladium);heptakis(pyridine)?
acetic acid;tris(fluoropalladium(1+));bis((5-methoxy-2-pyridin-2-ylphenyl)-(4-methylphenyl)sulfonylazanide);(4-methylphenyl)sulfonyl-[2-(5-methyl-2-pyridinyl)phenyl]azanide;bis((4-methylphenyl)sulfonyl-(3-methyl-2-pyridin-2-ylphenyl)azanide);bis((4-methylphenyl)sulfonyl-[2-pyridin-2-yl-5-(trifluoromethyl)phenyl]azanide);tetrakis(palladium);heptakis(pyridine) has a molecular weight of 4097.76 g/mol, XLogP of 43.32, 30 rotatable bonds, 4 hydrogen bond donors, and 34 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);(4-methylphenyl)sulfonyl-[2-(5-methyl-2-pyridinyl)phenyl]azanide;bis((4-methylphenyl)sulfonyl-(3-methyl-2-pyridin-2-ylphenyl)azanide);bis((4-methylphenyl)sulfonyl-[2-pyridin-2-yl-5-(trifluoromethyl)phenyl]azanide);tetrakis(palladium);heptakis(pyridine) is sourced from PubChem (CID 161413476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).