disilver;tetrakis(N-pyridin-4-ylbenzamide);dinitrate

C48H40Ag2N10O10 — CID 139119994

IUPACdisilver;tetrakis(N-pyridin-4-ylbenzamide);dinitrate
SMILESO=C(Nc1ccncc1)c1ccccc1.O=C(Nc1ccncc1)c1ccccc1.O=C(Nc1ccncc1)c1ccccc1.O=C(Nc1ccncc1)c1ccccc1.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Ag+].[Ag+]
InChIInChI=1S/4C12H10N2O.2Ag.2NO3/c4*15-12(10-4-2-1-3-5-10)14-11-6-8-13-9-7-11;;;2*2-1(3)4/h4*1-9H,(H,13,14,15);;;;/q;;;;2*+1;2*-1
InChIKeyVKCVEBHGZGYFGT-UHFFFAOYSA-N
MW1132.64 g/mol
LogP8.85
Rot. Bonds8

About disilver;tetrakis(N-pyridin-4-ylbenzamide);dinitrate

disilver;tetrakis(N-pyridin-4-ylbenzamide);dinitrate (PubChem CID 139119994) has the molecular formula C48H40Ag2N10O10 and a molecular weight of 1132.64 g/mol. Its IUPAC name is disilver;tetrakis(N-pyridin-4-ylbenzamide);dinitrate.

Molecular Properties

Compound Namedisilver;tetrakis(N-pyridin-4-ylbenzamide);dinitrate
PubChem CID139119994
Molecular FormulaC48H40Ag2N10O10
Molecular Weight1132.64 g/mol
Exact Mass1130.10
IUPAC Namedisilver;tetrakis(N-pyridin-4-ylbenzamide);dinitrate
SMILESO=C(Nc1ccncc1)c1ccccc1.O=C(Nc1ccncc1)c1ccccc1.O=C(Nc1ccncc1)c1ccccc1.O=C(Nc1ccncc1)c1ccccc1.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Ag+].[Ag+]
InChIInChI=1S/4C12H10N2O.2Ag.2NO3/c4*15-12(10-4-2-1-3-5-10)14-11-6-8-13-9-7-11;;;2*2-1(3)4/h4*1-9H,(H,13,14,15);;;;/q;;;;2*+1;2*-1
InChIKeyVKCVEBHGZGYFGT-UHFFFAOYSA-N
XLogP8.85
TPSA300.36 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001132.64
LogP ≤ 58.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

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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Related Compounds

1-N,4-N-dipyridin-4-ylbenzene-1,4-dicarboxamide
CID 669135
4,4'-(1,4-Phenylenebis(carbonylimino-4,1-phenyleneimino))bis(1-methylpyridinium)
CID 148499
1-N,4-N-bis[4-(pyridin-4-ylamino)phenyl]benzene-1,4-dicarboxamide
CID 156597871
Disilver;tetrakis(pyridine-4-carboxamide);dinitrate
CID 139141413
N1,N3,N5-Tri(pyridin-4-yl)benzene-1,3,5-tricarboxamide
CID 16070358
CID 139197104
CID 139197104
2,6-difluoro-N-[3-fluoro-4-[[3-(trifluoromethyl)-4-pyridinyl]methyl]phenyl]benzamide;2,6-difluoro-N-[3-fluoro-4-[[3-(trifluoromethyl)-4-pyridinyl]methyl]phenyl]-4-methylbenzamide;2,6-difluoro-N-[4-[[2-(trifluoromethyl)phenyl]methyl]phenyl]benzamide;2-fluoro-N-[3-fluoro-4-[[3-(trifluoromethyl)-4-pyridinyl]methyl]phenyl]benzamide;2-fluoro-N-[3-fluoro-4-[[3-(trifluoromethyl)-4-pyridinyl]methyl]phenyl]-6-methylbenzamide;2-fluoro-N-[4-[[2-(trifluoromethyl)phenyl]methyl]phenyl]benzamide
CID 158327767
2-fluoro-1-N,4-N-bis[4-(pyridin-4-ylamino)phenyl]benzene-1,4-dicarboxamide
CID 171423308
2-fluoro-1-N,4-N-bis[4-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]benzene-1,4-dicarboxamide
CID 171423311
4-N-[3-fluoro-4-(pyridin-4-ylamino)phenyl]-1-N-pyridin-4-ylbenzene-1,4-dicarboxamide
CID 171423386
1-N,4-N-bis[4-[(1-methylpyridin-1-ium-4-yl)carbamoyl]phenyl]benzene-1,4-dicarboxamide chloride
CID 54598361
5-[[3,5-bis(pyridin-4-ylmethylcarbamoyl)phenyl]methyl]-1-N,3-N-bis(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide
CID 102170784

Frequently Asked Questions

What is the IUPAC name of disilver;tetrakis(N-pyridin-4-ylbenzamide);dinitrate?
The IUPAC name of disilver;tetrakis(N-pyridin-4-ylbenzamide);dinitrate (CID 139119994) is disilver;tetrakis(N-pyridin-4-ylbenzamide);dinitrate.
What is the SMILES notation for disilver;tetrakis(N-pyridin-4-ylbenzamide);dinitrate?
The canonical SMILES for disilver;tetrakis(N-pyridin-4-ylbenzamide);dinitrate is O=C(Nc1ccncc1)c1ccccc1.O=C(Nc1ccncc1)c1ccccc1.O=C(Nc1ccncc1)c1ccccc1.O=C(Nc1ccncc1)c1ccccc1.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Ag+].[Ag+].
What is the InChIKey of disilver;tetrakis(N-pyridin-4-ylbenzamide);dinitrate?
The InChIKey is VKCVEBHGZGYFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/4C12H10N2O.2Ag.2NO3/c4*15-12(10-4-2-1-3-5-10)14-11-6-8-13-9-7-11;;;2*2-1(3)4/h4*1-9H,(H,13,14,15);;;;/q;;;;2*+1;2*-1.
What are the key properties of disilver;tetrakis(N-pyridin-4-ylbenzamide);dinitrate?
disilver;tetrakis(N-pyridin-4-ylbenzamide);dinitrate has a molecular weight of 1132.64 g/mol, XLogP of 8.85, 8 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for disilver;tetrakis(N-pyridin-4-ylbenzamide);dinitrate is sourced from PubChem (CID 139119994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).