acetic acid;tris(fluoropalladium(1+));bis([2-[4-(hydroxymethyl)-2-pyridinyl]phenyl]-(4-methylphenyl)sulfonylazanide);bis((4-methylphenyl)sulfonyl-[2-(4-methyl-2-pyridinyl)phenyl]azanide);bis((4-methylphenyl)sulfonyl-[2-(5-methyl-2-pyridinyl)phenyl]azanide);tris(palladium);hexakis(pyridine)

C150H144F3N18O20Pd6S6-3 — CID 157335591

IUPACacetic acid;tris(fluoropalladium(1+));bis([2-[4-(hydroxymethyl)-2-pyridinyl]phenyl]-(4-methylphenyl)sulfonylazanide);bis((4-methylphenyl)sulfonyl-[2-(4-methyl-2-pyridinyl)phenyl]azanide);bis((4-methylphenyl)sulfonyl-[2-(5-methyl-2-pyridinyl)phenyl]azanide);tris(palladium);hexakis(pyridine)
SMILESCC(=O)O.CC(=O)O.CC(=O)O.Cc1ccc(S(=O)(=O)[N-]c2ccccc2-c2cc(C)ccn2)cc1.Cc1ccc(S(=O)(=O)[N-]c2ccccc2-c2cc(C)ccn2)cc1.Cc1ccc(S(=O)(=O)[N-]c2ccccc2-c2cc(CO)ccn2)cc1.Cc1ccc(S(=O)(=O)[N-]c2ccccc2-c2cc(CO)ccn2)cc1.Cc1ccc(S(=O)(=O)[N-]c2ccccc2-c2ccc(C)cn2)cc1.Cc1ccc(S(=O)(=O)[N-]c2ccccc2-c2ccc(C)cn2)cc1.F[Pd+].F[Pd+].F[Pd+].[Pd].[Pd].[Pd].c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1
InChIInChI=1S/2C19H17N2O3S.4C19H17N2O2S.6C5H5N.3C2H4O2.3FH.6Pd/c2*1-14-6-8-16(9-7-14)25(23,24)21-18-5-3-2-4-17(18)19-12-15(13-22)10-11-20-19;2*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;2*1-14-7-9-16(10-8-14)24(22,23)21-18-6-4-3-5-17(18)19-13-15(2)11-12-20-19;6*1-2-4-6-5-3-1;3*1-2(3)4;;;;;;;;;/h2*2-12,22H,13H2,1H3;4*3-13H,1-2H3;6*1-5H;3*1H3,(H,3,4);3*1H;;;;;;/q6*-1;;;;;;;;;;;;;;;;3*+2/p-3
InChIKeyZWTIUAIHPNTLHA-UHFFFAOYSA-K
MW3406.82 g/mol
LogP34.93
Rot. Bonds26

About acetic acid;tris(fluoropalladium(1+));bis([2-[4-(hydroxymethyl)-2-pyridinyl]phenyl]-(4-methylphenyl)sulfonylazanide);bis((4-methylphenyl)sulfonyl-[2-(4-methyl-2-pyridinyl)phenyl]azanide);bis((4-methylphenyl)sulfonyl-[2-(5-methyl-2-pyridinyl)phenyl]azanide);tris(palladium);hexakis(pyridine)

acetic acid;tris(fluoropalladium(1+));bis([2-[4-(hydroxymethyl)-2-pyridinyl]phenyl]-(4-methylphenyl)sulfonylazanide);bis((4-methylphenyl)sulfonyl-[2-(4-methyl-2-pyridinyl)phenyl]azanide);bis((4-methylphenyl)sulfonyl-[2-(5-methyl-2-pyridinyl)phenyl]azanide);tris(palladium);hexakis(pyridine) (PubChem CID 157335591) has the molecular formula C150H144F3N18O20Pd6S6-3 and a molecular weight of 3406.82 g/mol. Its IUPAC name is acetic acid;tris(fluoropalladium(1+));bis([2-[4-(hydroxymethyl)-2-pyridinyl]phenyl]-(4-methylphenyl)sulfonylazanide);bis((4-methylphenyl)sulfonyl-[2-(4-methyl-2-pyridinyl)phenyl]azanide);bis((4-methylphenyl)sulfonyl-[2-(5-methyl-2-pyridinyl)phenyl]azanide);tris(palladium);hexakis(pyridine).

Molecular Properties

Compound Nameacetic acid;tris(fluoropalladium(1+));bis([2-[4-(hydroxymethyl)-2-pyridinyl]phenyl]-(4-methylphenyl)sulfonylazanide);bis((4-methylphenyl)sulfonyl-[2-(4-methyl-2-pyridinyl)phenyl]azanide);bis((4-methylphenyl)sulfonyl-[2-(5-methyl-2-pyridinyl)phenyl]azanide);tris(palladium);hexakis(pyridine)
PubChem CID157335591
Molecular FormulaC150H144F3N18O20Pd6S6-3
Molecular Weight3406.82 g/mol
Exact Mass3401.33
IUPAC Nameacetic acid;tris(fluoropalladium(1+));bis([2-[4-(hydroxymethyl)-2-pyridinyl]phenyl]-(4-methylphenyl)sulfonylazanide);bis((4-methylphenyl)sulfonyl-[2-(4-methyl-2-pyridinyl)phenyl]azanide);bis((4-methylphenyl)sulfonyl-[2-(5-methyl-2-pyridinyl)phenyl]azanide);tris(palladium);hexakis(pyridine)
SMILESCC(=O)O.CC(=O)O.CC(=O)O.Cc1ccc(S(=O)(=O)[N-]c2ccccc2-c2cc(C)ccn2)cc1.Cc1ccc(S(=O)(=O)[N-]c2ccccc2-c2cc(C)ccn2)cc1.Cc1ccc(S(=O)(=O)[N-]c2ccccc2-c2cc(CO)ccn2)cc1.Cc1ccc(S(=O)(=O)[N-]c2ccccc2-c2cc(CO)ccn2)cc1.Cc1ccc(S(=O)(=O)[N-]c2ccccc2-c2ccc(C)cn2)cc1.Cc1ccc(S(=O)(=O)[N-]c2ccccc2-c2ccc(C)cn2)cc1.F[Pd+].F[Pd+].F[Pd+].[Pd].[Pd].[Pd].c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1
InChIInChI=1S/2C19H17N2O3S.4C19H17N2O2S.6C5H5N.3C2H4O2.3FH.6Pd/c2*1-14-6-8-16(9-7-14)25(23,24)21-18-5-3-2-4-17(18)19-12-15(13-22)10-11-20-19;2*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;2*1-14-7-9-16(10-8-14)24(22,23)21-18-6-4-3-5-17(18)19-13-15(2)11-12-20-19;6*1-2-4-6-5-3-1;3*1-2(3)4;;;;;;;;;/h2*2-12,22H,13H2,1H3;4*3-13H,1-2H3;6*1-5H;3*1H3,(H,3,4);3*1H;;;;;;/q6*-1;;;;;;;;;;;;;;;;3*+2/p-3
InChIKeyZWTIUAIHPNTLHA-UHFFFAOYSA-K
XLogP34.93
TPSA596.48 Ų
H-Bond Donors5
H-Bond Acceptors29
Rotatable Bonds26
Heavy Atoms203
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003406.82
LogP ≤ 534.93
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1029

Analyze acetic acid;tris(fluoropalladium(1+));bis([2-[4-(hydroxymethyl)-2-pyridinyl]phenyl]-(4-methylphenyl)sulfonylazanide);bis((4-methylphenyl)sulfonyl-[2-(4-methyl-2-pyridinyl)phenyl]azanide);bis((4-methylphenyl)sulfonyl-[2-(5-methyl-2-pyridinyl)phenyl]azanide);tris(palladium);hexakis(pyridine) with MolForge

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Frequently Asked Questions

What is the IUPAC name of acetic acid;tris(fluoropalladium(1+));bis([2-[4-(hydroxymethyl)-2-pyridinyl]phenyl]-(4-methylphenyl)sulfonylazanide);bis((4-methylphenyl)sulfonyl-[2-(4-methyl-2-pyridinyl)phenyl]azanide);bis((4-methylphenyl)sulfonyl-[2-(5-methyl-2-pyridinyl)phenyl]azanide);tris(palladium);hexakis(pyridine)?
The IUPAC name of acetic acid;tris(fluoropalladium(1+));bis([2-[4-(hydroxymethyl)-2-pyridinyl]phenyl]-(4-methylphenyl)sulfonylazanide);bis((4-methylphenyl)sulfonyl-[2-(4-methyl-2-pyridinyl)phenyl]azanide);bis((4-methylphenyl)sulfonyl-[2-(5-methyl-2-pyridinyl)phenyl]azanide);tris(palladium);hexakis(pyridine) (CID 157335591) is acetic acid;tris(fluoropalladium(1+));bis([2-[4-(hydroxymethyl)-2-pyridinyl]phenyl]-(4-methylphenyl)sulfonylazanide);bis((4-methylphenyl)sulfonyl-[2-(4-methyl-2-pyridinyl)phenyl]azanide);bis((4-methylphenyl)sulfonyl-[2-(5-methyl-2-pyridinyl)phenyl]azanide);tris(palladium);hexakis(pyridine).
What is the SMILES notation for acetic acid;tris(fluoropalladium(1+));bis([2-[4-(hydroxymethyl)-2-pyridinyl]phenyl]-(4-methylphenyl)sulfonylazanide);bis((4-methylphenyl)sulfonyl-[2-(4-methyl-2-pyridinyl)phenyl]azanide);bis((4-methylphenyl)sulfonyl-[2-(5-methyl-2-pyridinyl)phenyl]azanide);tris(palladium);hexakis(pyridine)?
The canonical SMILES for acetic acid;tris(fluoropalladium(1+));bis([2-[4-(hydroxymethyl)-2-pyridinyl]phenyl]-(4-methylphenyl)sulfonylazanide);bis((4-methylphenyl)sulfonyl-[2-(4-methyl-2-pyridinyl)phenyl]azanide);bis((4-methylphenyl)sulfonyl-[2-(5-methyl-2-pyridinyl)phenyl]azanide);tris(palladium);hexakis(pyridine) is CC(=O)O.CC(=O)O.CC(=O)O.Cc1ccc(S(=O)(=O)[N-]c2ccccc2-c2cc(C)ccn2)cc1.Cc1ccc(S(=O)(=O)[N-]c2ccccc2-c2cc(C)ccn2)cc1.Cc1ccc(S(=O)(=O)[N-]c2ccccc2-c2cc(CO)ccn2)cc1.Cc1ccc(S(=O)(=O)[N-]c2ccccc2-c2cc(CO)ccn2)cc1.Cc1ccc(S(=O)(=O)[N-]c2ccccc2-c2ccc(C)cn2)cc1.Cc1ccc(S(=O)(=O)[N-]c2ccccc2-c2ccc(C)cn2)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([2-[4-(hydroxymethyl)-2-pyridinyl]phenyl]-(4-methylphenyl)sulfonylazanide);bis((4-methylphenyl)sulfonyl-[2-(4-methyl-2-pyridinyl)phenyl]azanide);bis((4-methylphenyl)sulfonyl-[2-(5-methyl-2-pyridinyl)phenyl]azanide);tris(palladium);hexakis(pyridine)?
The InChIKey is ZWTIUAIHPNTLHA-UHFFFAOYSA-K. The full InChI is InChI=1S/2C19H17N2O3S.4C19H17N2O2S.6C5H5N.3C2H4O2.3FH.6Pd/c2*1-14-6-8-16(9-7-14)25(23,24)21-18-5-3-2-4-17(18)19-12-15(13-22)10-11-20-19;2*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;2*1-14-7-9-16(10-8-14)24(22,23)21-18-6-4-3-5-17(18)19-13-15(2)11-12-20-19;6*1-2-4-6-5-3-1;3*1-2(3)4;;;;;;;;;/h2*2-12,22H,13H2,1H3;4*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([2-[4-(hydroxymethyl)-2-pyridinyl]phenyl]-(4-methylphenyl)sulfonylazanide);bis((4-methylphenyl)sulfonyl-[2-(4-methyl-2-pyridinyl)phenyl]azanide);bis((4-methylphenyl)sulfonyl-[2-(5-methyl-2-pyridinyl)phenyl]azanide);tris(palladium);hexakis(pyridine)?
acetic acid;tris(fluoropalladium(1+));bis([2-[4-(hydroxymethyl)-2-pyridinyl]phenyl]-(4-methylphenyl)sulfonylazanide);bis((4-methylphenyl)sulfonyl-[2-(4-methyl-2-pyridinyl)phenyl]azanide);bis((4-methylphenyl)sulfonyl-[2-(5-methyl-2-pyridinyl)phenyl]azanide);tris(palladium);hexakis(pyridine) has a molecular weight of 3406.82 g/mol, XLogP of 34.93, 26 rotatable bonds, 5 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;tris(fluoropalladium(1+));bis([2-[4-(hydroxymethyl)-2-pyridinyl]phenyl]-(4-methylphenyl)sulfonylazanide);bis((4-methylphenyl)sulfonyl-[2-(4-methyl-2-pyridinyl)phenyl]azanide);bis((4-methylphenyl)sulfonyl-[2-(5-methyl-2-pyridinyl)phenyl]azanide);tris(palladium);hexakis(pyridine) is sourced from PubChem (CID 157335591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).