tetrasilver;tetrakis(4-nitrobenzoate);bis(N-pyridin-2-ylpyridin-2-amine)

C48H34Ag4N10O16 — CID 139060038

IUPACtetrasilver;tetrakis(4-nitrobenzoate);bis(N-pyridin-2-ylpyridin-2-amine)
SMILESO=C([O-])c1ccc([N+](=O)[O-])cc1.O=C([O-])c1ccc([N+](=O)[O-])cc1.O=C([O-])c1ccc([N+](=O)[O-])cc1.O=C([O-])c1ccc([N+](=O)[O-])cc1.[Ag+].[Ag+].[Ag+].[Ag+].c1ccc(Nc2ccccn2)nc1.c1ccc(Nc2ccccn2)nc1
InChIInChI=1S/2C10H9N3.4C7H5NO4.4Ag/c2*1-3-7-11-9(5-1)13-10-6-2-4-8-12-10;4*9-7(10)5-1-3-6(4-2-5)8(11)12;;;;/h2*1-8H,(H,11,12,13);4*1-4H,(H,9,10);;;;/q;;;;;;4*+1/p-4
InChIKeyPDFVWLADXOXRDT-UHFFFAOYSA-J
MW1438.33 g/mol
LogP4.26
Rot. Bonds12

About tetrasilver;tetrakis(4-nitrobenzoate);bis(N-pyridin-2-ylpyridin-2-amine)

tetrasilver;tetrakis(4-nitrobenzoate);bis(N-pyridin-2-ylpyridin-2-amine) (PubChem CID 139060038) has the molecular formula C48H34Ag4N10O16 and a molecular weight of 1438.33 g/mol. Its IUPAC name is tetrasilver;tetrakis(4-nitrobenzoate);bis(N-pyridin-2-ylpyridin-2-amine).

Molecular Properties

Compound Nametetrasilver;tetrakis(4-nitrobenzoate);bis(N-pyridin-2-ylpyridin-2-amine)
PubChem CID139060038
Molecular FormulaC48H34Ag4N10O16
Molecular Weight1438.33 g/mol
Exact Mass1433.84
IUPAC Nametetrasilver;tetrakis(4-nitrobenzoate);bis(N-pyridin-2-ylpyridin-2-amine)
SMILESO=C([O-])c1ccc([N+](=O)[O-])cc1.O=C([O-])c1ccc([N+](=O)[O-])cc1.O=C([O-])c1ccc([N+](=O)[O-])cc1.O=C([O-])c1ccc([N+](=O)[O-])cc1.[Ag+].[Ag+].[Ag+].[Ag+].c1ccc(Nc2ccccn2)nc1.c1ccc(Nc2ccccn2)nc1
InChIInChI=1S/2C10H9N3.4C7H5NO4.4Ag/c2*1-3-7-11-9(5-1)13-10-6-2-4-8-12-10;4*9-7(10)5-1-3-6(4-2-5)8(11)12;;;;/h2*1-8H,(H,11,12,13);4*1-4H,(H,9,10);;;;/q;;;;;;4*+1/p-4
InChIKeyPDFVWLADXOXRDT-UHFFFAOYSA-J
XLogP4.26
TPSA408.70 Ų
H-Bond Donors2
H-Bond Acceptors22
Rotatable Bonds12
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001438.33
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tetrasilver;tetrakis(4-nitrobenzoate);bis(N-pyridin-2-ylpyridin-2-amine)?
The IUPAC name of tetrasilver;tetrakis(4-nitrobenzoate);bis(N-pyridin-2-ylpyridin-2-amine) (CID 139060038) is tetrasilver;tetrakis(4-nitrobenzoate);bis(N-pyridin-2-ylpyridin-2-amine).
What is the SMILES notation for tetrasilver;tetrakis(4-nitrobenzoate);bis(N-pyridin-2-ylpyridin-2-amine)?
The canonical SMILES for tetrasilver;tetrakis(4-nitrobenzoate);bis(N-pyridin-2-ylpyridin-2-amine) is O=C([O-])c1ccc([N+](=O)[O-])cc1.O=C([O-])c1ccc([N+](=O)[O-])cc1.O=C([O-])c1ccc([N+](=O)[O-])cc1.O=C([O-])c1ccc([N+](=O)[O-])cc1.[Ag+].[Ag+].[Ag+].[Ag+].c1ccc(Nc2ccccn2)nc1.c1ccc(Nc2ccccn2)nc1.
What is the InChIKey of tetrasilver;tetrakis(4-nitrobenzoate);bis(N-pyridin-2-ylpyridin-2-amine)?
The InChIKey is PDFVWLADXOXRDT-UHFFFAOYSA-J. The full InChI is InChI=1S/2C10H9N3.4C7H5NO4.4Ag/c2*1-3-7-11-9(5-1)13-10-6-2-4-8-12-10;4*9-7(10)5-1-3-6(4-2-5)8(11)12;;;;/h2*1-8H,(H,11,12,13);4*1-4H,(H,9,10);;;;/q;;;;;;4*+1/p-4.
What are the key properties of tetrasilver;tetrakis(4-nitrobenzoate);bis(N-pyridin-2-ylpyridin-2-amine)?
tetrasilver;tetrakis(4-nitrobenzoate);bis(N-pyridin-2-ylpyridin-2-amine) has a molecular weight of 1438.33 g/mol, XLogP of 4.26, 12 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for tetrasilver;tetrakis(4-nitrobenzoate);bis(N-pyridin-2-ylpyridin-2-amine) is sourced from PubChem (CID 139060038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).