disilver;tetrakis(1-(4-methylphenyl)-3-pyridin-3-ylurea);sulfate

C52H52Ag2N12O8S — CID 139180278

IUPACdisilver;tetrakis(1-(4-methylphenyl)-3-pyridin-3-ylurea);sulfate
SMILESCc1ccc(NC(=O)Nc2cccnc2)cc1.Cc1ccc(NC(=O)Nc2cccnc2)cc1.Cc1ccc(NC(=O)Nc2cccnc2)cc1.Cc1ccc(NC(=O)Nc2cccnc2)cc1.O=S(=O)([O-])[O-].[Ag+].[Ag+]
InChIInChI=1S/4C13H13N3O.2Ag.H2O4S/c4*1-10-4-6-11(7-5-10)15-13(17)16-12-3-2-8-14-9-12;;;1-5(2,3)4/h4*2-9H,1H3,(H2,15,16,17);;;(H2,1,2,3,4)/q;;;;2*+1;/p-2
InChIKeyVYTMFVHNQZYUSZ-UHFFFAOYSA-L
MW1220.87 g/mol
LogP10.79
Rot. Bonds8

About disilver;tetrakis(1-(4-methylphenyl)-3-pyridin-3-ylurea);sulfate

disilver;tetrakis(1-(4-methylphenyl)-3-pyridin-3-ylurea);sulfate (PubChem CID 139180278) has the molecular formula C52H52Ag2N12O8S and a molecular weight of 1220.87 g/mol. Its IUPAC name is disilver;tetrakis(1-(4-methylphenyl)-3-pyridin-3-ylurea);sulfate.

Molecular Properties

Compound Namedisilver;tetrakis(1-(4-methylphenyl)-3-pyridin-3-ylurea);sulfate
PubChem CID139180278
Molecular FormulaC52H52Ag2N12O8S
Molecular Weight1220.87 g/mol
Exact Mass1218.19
IUPAC Namedisilver;tetrakis(1-(4-methylphenyl)-3-pyridin-3-ylurea);sulfate
SMILESCc1ccc(NC(=O)Nc2cccnc2)cc1.Cc1ccc(NC(=O)Nc2cccnc2)cc1.Cc1ccc(NC(=O)Nc2cccnc2)cc1.Cc1ccc(NC(=O)Nc2cccnc2)cc1.O=S(=O)([O-])[O-].[Ag+].[Ag+]
InChIInChI=1S/4C13H13N3O.2Ag.H2O4S/c4*1-10-4-6-11(7-5-10)15-13(17)16-12-3-2-8-14-9-12;;;1-5(2,3)4/h4*2-9H,1H3,(H2,15,16,17);;;(H2,1,2,3,4)/q;;;;2*+1;/p-2
InChIKeyVYTMFVHNQZYUSZ-UHFFFAOYSA-L
XLogP10.79
TPSA296.34 Ų
H-Bond Donors8
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms75
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001220.87
LogP ≤ 510.79
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of disilver;tetrakis(1-(4-methylphenyl)-3-pyridin-3-ylurea);sulfate?
The IUPAC name of disilver;tetrakis(1-(4-methylphenyl)-3-pyridin-3-ylurea);sulfate (CID 139180278) is disilver;tetrakis(1-(4-methylphenyl)-3-pyridin-3-ylurea);sulfate.
What is the SMILES notation for disilver;tetrakis(1-(4-methylphenyl)-3-pyridin-3-ylurea);sulfate?
The canonical SMILES for disilver;tetrakis(1-(4-methylphenyl)-3-pyridin-3-ylurea);sulfate is Cc1ccc(NC(=O)Nc2cccnc2)cc1.Cc1ccc(NC(=O)Nc2cccnc2)cc1.Cc1ccc(NC(=O)Nc2cccnc2)cc1.Cc1ccc(NC(=O)Nc2cccnc2)cc1.O=S(=O)([O-])[O-].[Ag+].[Ag+].
What is the InChIKey of disilver;tetrakis(1-(4-methylphenyl)-3-pyridin-3-ylurea);sulfate?
The InChIKey is VYTMFVHNQZYUSZ-UHFFFAOYSA-L. The full InChI is InChI=1S/4C13H13N3O.2Ag.H2O4S/c4*1-10-4-6-11(7-5-10)15-13(17)16-12-3-2-8-14-9-12;;;1-5(2,3)4/h4*2-9H,1H3,(H2,15,16,17);;;(H2,1,2,3,4)/q;;;;2*+1;/p-2.
What are the key properties of disilver;tetrakis(1-(4-methylphenyl)-3-pyridin-3-ylurea);sulfate?
disilver;tetrakis(1-(4-methylphenyl)-3-pyridin-3-ylurea);sulfate has a molecular weight of 1220.87 g/mol, XLogP of 10.79, 8 rotatable bonds, 8 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for disilver;tetrakis(1-(4-methylphenyl)-3-pyridin-3-ylurea);sulfate is sourced from PubChem (CID 139180278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).