acetic acid;bis(benzo[h]quinolin-10-yl-(4-nitrophenyl)sulfonylazanide);chloropalladium(1+);ethanone;oxosilver;palladium;bis(pyridine)

C52H41AgClN8O12Pd2S2-2 — CID 160779007

IUPACacetic acid;bis(benzo[h]quinolin-10-yl-(4-nitrophenyl)sulfonylazanide);chloropalladium(1+);ethanone;oxosilver;palladium;bis(pyridine)
SMILESCC(=O)O.C[C-]=O.Cl[Pd+].O=[Ag].O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cccc3ccc4cccnc4c23)cc1.O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cccc3ccc4cccnc4c23)cc1.[Pd].c1ccncc1.c1ccncc1
InChIInChI=1S/2C19H12N3O4S.2C5H5N.C2H4O2.C2H3O.Ag.ClH.O.2Pd/c2*23-22(24)15-8-10-16(11-9-15)27(25,26)21-17-5-1-3-13-6-7-14-4-2-12-20-19(14)18(13)17;2*1-2-4-6-5-3-1;1-2(3)4;1-2-3;;;;;/h2*1-12H;2*1-5H;1H3,(H,3,4);1H3;;1H;;;/q2*-1;;;;-1;;;;;+2/p-1
InChIKeyMQASBTTZUFQHKG-UHFFFAOYSA-M
MW1390.24 g/mol
LogP12.31
Rot. Bonds8

About acetic acid;bis(benzo[h]quinolin-10-yl-(4-nitrophenyl)sulfonylazanide);chloropalladium(1+);ethanone;oxosilver;palladium;bis(pyridine)

acetic acid;bis(benzo[h]quinolin-10-yl-(4-nitrophenyl)sulfonylazanide);chloropalladium(1+);ethanone;oxosilver;palladium;bis(pyridine) (PubChem CID 160779007) has the molecular formula C52H41AgClN8O12Pd2S2-2 and a molecular weight of 1390.24 g/mol. Its IUPAC name is acetic acid;bis(benzo[h]quinolin-10-yl-(4-nitrophenyl)sulfonylazanide);chloropalladium(1+);ethanone;oxosilver;palladium;bis(pyridine).

Molecular Properties

Compound Nameacetic acid;bis(benzo[h]quinolin-10-yl-(4-nitrophenyl)sulfonylazanide);chloropalladium(1+);ethanone;oxosilver;palladium;bis(pyridine)
PubChem CID160779007
Molecular FormulaC52H41AgClN8O12Pd2S2-2
Molecular Weight1390.24 g/mol
Exact Mass1386.91
IUPAC Nameacetic acid;bis(benzo[h]quinolin-10-yl-(4-nitrophenyl)sulfonylazanide);chloropalladium(1+);ethanone;oxosilver;palladium;bis(pyridine)
SMILESCC(=O)O.C[C-]=O.Cl[Pd+].O=[Ag].O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cccc3ccc4cccnc4c23)cc1.O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cccc3ccc4cccnc4c23)cc1.[Pd].c1ccncc1.c1ccncc1
InChIInChI=1S/2C19H12N3O4S.2C5H5N.C2H4O2.C2H3O.Ag.ClH.O.2Pd/c2*23-22(24)15-8-10-16(11-9-15)27(25,26)21-17-5-1-3-13-6-7-14-4-2-12-20-19(14)18(13)17;2*1-2-4-6-5-3-1;1-2(3)4;1-2-3;;;;;/h2*1-12H;2*1-5H;1H3,(H,3,4);1H3;;1H;;;/q2*-1;;;;-1;;;;;+2/p-1
InChIKeyMQASBTTZUFQHKG-UHFFFAOYSA-M
XLogP12.31
TPSA305.76 Ų
H-Bond Donors1
H-Bond Acceptors15
Rotatable Bonds8
Heavy Atoms78
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001390.24
LogP ≤ 512.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

acetic acid;bis(benzo[h]quinolin-10-yl-(4-methoxyphenyl)sulfonylazanide);bis[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfane;chloropalladium(1+);ethanone;oxosilver;palladium;bis(pyridine);sulfanylidene-[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane
CID 158005642
acetic acid;acetonitrile;pentakis(benzo[h]quinolin-10-yl-(4-methylphenyl)sulfonylazanide);carbanide;chloropalladium(1+);fluoropalladium(1+);(4-methylphenyl)sulfonyl-(2-pyridin-2-ylphenyl)azanide;tris(palladium);palladium(2+);heptakis(pyridine);bis(trifluoroborane);difluoride
CID 161105047
benzo[h]quinolin-10-yl-(2,4-dinitrophenyl)sulfonylazanide;carbanide;palladium(2+);pyridine
CID 58174438
copper bis((4-nitrophenyl)sulfonyl-quinolin-8-ylazanide)
CID 139069114
benzo[h]quinolin-10-yl-(4-methylphenyl)sulfonylazanide;1-chloro-4-methylbenzene-5-ide;palladium(2+);pyridine
CID 58174428
benzo[h]quinolin-10-yl(pyridin-2-ylsulfonyl)azanide;fluoropalladium(1+)
CID 58174325
bis(cyano-(4-nitrophenyl)azanide);methanol;nickel(2+);bis(1,10-phenanthroline)
CID 139083288
acetic acid;palladium;bis(1,10-phenanthroline)
CID 11261760
4-nitro-N-(4-quinolin-8-yloxybut-2-ynyl)benzenesulfonamide
CID 90579918
acetic acid;N-(5-tert-butyl-2-pyridin-2-ylphenyl)-4-nitrobenzenesulfonamide;palladium;pyridine
CID 44540791
N-(4-nitrophenyl)sulfanylquinolin-8-amine
CID 142610178
acetic acid;bis(palladium);bis(quinolin-8-ol)
CID 171726767

Frequently Asked Questions

What is the IUPAC name of acetic acid;bis(benzo[h]quinolin-10-yl-(4-nitrophenyl)sulfonylazanide);chloropalladium(1+);ethanone;oxosilver;palladium;bis(pyridine)?
The IUPAC name of acetic acid;bis(benzo[h]quinolin-10-yl-(4-nitrophenyl)sulfonylazanide);chloropalladium(1+);ethanone;oxosilver;palladium;bis(pyridine) (CID 160779007) is acetic acid;bis(benzo[h]quinolin-10-yl-(4-nitrophenyl)sulfonylazanide);chloropalladium(1+);ethanone;oxosilver;palladium;bis(pyridine).
What is the SMILES notation for acetic acid;bis(benzo[h]quinolin-10-yl-(4-nitrophenyl)sulfonylazanide);chloropalladium(1+);ethanone;oxosilver;palladium;bis(pyridine)?
The canonical SMILES for acetic acid;bis(benzo[h]quinolin-10-yl-(4-nitrophenyl)sulfonylazanide);chloropalladium(1+);ethanone;oxosilver;palladium;bis(pyridine) is CC(=O)O.C[C-]=O.Cl[Pd+].O=[Ag].O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cccc3ccc4cccnc4c23)cc1.O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cccc3ccc4cccnc4c23)cc1.[Pd].c1ccncc1.c1ccncc1.
What is the InChIKey of acetic acid;bis(benzo[h]quinolin-10-yl-(4-nitrophenyl)sulfonylazanide);chloropalladium(1+);ethanone;oxosilver;palladium;bis(pyridine)?
The InChIKey is MQASBTTZUFQHKG-UHFFFAOYSA-M. The full InChI is InChI=1S/2C19H12N3O4S.2C5H5N.C2H4O2.C2H3O.Ag.ClH.O.2Pd/c2*23-22(24)15-8-10-16(11-9-15)27(25,26)21-17-5-1-3-13-6-7-14-4-2-12-20-19(14)18(13)17;2*1-2-4-6-5-3-1;1-2(3)4;1-2-3;;;;;/h2*1-12H;2*1-5H;1H3,(H,3,4);1H3;;1H;;;/q2*-1;;;;-1;;;;;+2/p-1.
What are the key properties of acetic acid;bis(benzo[h]quinolin-10-yl-(4-nitrophenyl)sulfonylazanide);chloropalladium(1+);ethanone;oxosilver;palladium;bis(pyridine)?
acetic acid;bis(benzo[h]quinolin-10-yl-(4-nitrophenyl)sulfonylazanide);chloropalladium(1+);ethanone;oxosilver;palladium;bis(pyridine) has a molecular weight of 1390.24 g/mol, XLogP of 12.31, 8 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;bis(benzo[h]quinolin-10-yl-(4-nitrophenyl)sulfonylazanide);chloropalladium(1+);ethanone;oxosilver;palladium;bis(pyridine) is sourced from PubChem (CID 160779007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).