disilver;bis(4-methylbenzenesulfonate);tetrakis(pyridine)

C34H34Ag2N4O6S2 — CID 139045021

IUPACdisilver;bis(4-methylbenzenesulfonate);tetrakis(pyridine)
SMILESCc1ccc(S(=O)(=O)[O-])cc1.Cc1ccc(S(=O)(=O)[O-])cc1.[Ag+].[Ag+].c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1
InChIInChI=1S/2C7H8O3S.4C5H5N.2Ag/c2*1-6-2-4-7(5-3-6)11(8,9)10;4*1-2-4-6-5-3-1;;/h2*2-5H,1H3,(H,8,9,10);4*1-5H;;/q;;;;;;2*+1/p-2
InChIKeyCKWFDMLDXIUINK-UHFFFAOYSA-L
MW874.54 g/mol
LogP6.12
Rot. Bonds2

About disilver;bis(4-methylbenzenesulfonate);tetrakis(pyridine)

disilver;bis(4-methylbenzenesulfonate);tetrakis(pyridine) (PubChem CID 139045021) has the molecular formula C34H34Ag2N4O6S2 and a molecular weight of 874.54 g/mol. Its IUPAC name is disilver;bis(4-methylbenzenesulfonate);tetrakis(pyridine).

Molecular Properties

Compound Namedisilver;bis(4-methylbenzenesulfonate);tetrakis(pyridine)
PubChem CID139045021
Molecular FormulaC34H34Ag2N4O6S2
Molecular Weight874.54 g/mol
Exact Mass872.00
IUPAC Namedisilver;bis(4-methylbenzenesulfonate);tetrakis(pyridine)
SMILESCc1ccc(S(=O)(=O)[O-])cc1.Cc1ccc(S(=O)(=O)[O-])cc1.[Ag+].[Ag+].c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1
InChIInChI=1S/2C7H8O3S.4C5H5N.2Ag/c2*1-6-2-4-7(5-3-6)11(8,9)10;4*1-2-4-6-5-3-1;;/h2*2-5H,1H3,(H,8,9,10);4*1-5H;;/q;;;;;;2*+1/p-2
InChIKeyCKWFDMLDXIUINK-UHFFFAOYSA-L
XLogP6.12
TPSA165.96 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500874.54
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of disilver;bis(4-methylbenzenesulfonate);tetrakis(pyridine)?
The IUPAC name of disilver;bis(4-methylbenzenesulfonate);tetrakis(pyridine) (CID 139045021) is disilver;bis(4-methylbenzenesulfonate);tetrakis(pyridine).
What is the SMILES notation for disilver;bis(4-methylbenzenesulfonate);tetrakis(pyridine)?
The canonical SMILES for disilver;bis(4-methylbenzenesulfonate);tetrakis(pyridine) is Cc1ccc(S(=O)(=O)[O-])cc1.Cc1ccc(S(=O)(=O)[O-])cc1.[Ag+].[Ag+].c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.
What is the InChIKey of disilver;bis(4-methylbenzenesulfonate);tetrakis(pyridine)?
The InChIKey is CKWFDMLDXIUINK-UHFFFAOYSA-L. The full InChI is InChI=1S/2C7H8O3S.4C5H5N.2Ag/c2*1-6-2-4-7(5-3-6)11(8,9)10;4*1-2-4-6-5-3-1;;/h2*2-5H,1H3,(H,8,9,10);4*1-5H;;/q;;;;;;2*+1/p-2.
What are the key properties of disilver;bis(4-methylbenzenesulfonate);tetrakis(pyridine)?
disilver;bis(4-methylbenzenesulfonate);tetrakis(pyridine) has a molecular weight of 874.54 g/mol, XLogP of 6.12, 2 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for disilver;bis(4-methylbenzenesulfonate);tetrakis(pyridine) is sourced from PubChem (CID 139045021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).