tetrasilver;octakis(2-phenyl-1H-imidazole);tetranitrate

C72H64Ag4N20O12 — CID 139078083

IUPACtetrasilver;octakis(2-phenyl-1H-imidazole);tetranitrate
SMILESO=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Ag+].[Ag+].[Ag+].[Ag+].c1ccc(-c2ncc[nH]2)cc1.c1ccc(-c2ncc[nH]2)cc1.c1ccc(-c2ncc[nH]2)cc1.c1ccc(-c2ncc[nH]2)cc1.c1ccc(-c2ncc[nH]2)cc1.c1ccc(-c2ncc[nH]2)cc1.c1ccc(-c2ncc[nH]2)cc1.c1ccc(-c2ncc[nH]2)cc1
InChIInChI=1S/8C9H8N2.4Ag.4NO3/c8*1-2-4-8(5-3-1)9-10-6-7-11-9;;;;;4*2-1(3)4/h8*1-7H,(H,10,11);;;;;;;;/q;;;;;;;;4*+1;4*-1
InChIKeyJSCCHECIKZNTOA-UHFFFAOYSA-N
MW1832.90 g/mol
LogP15.65
Rot. Bonds8

About tetrasilver;octakis(2-phenyl-1H-imidazole);tetranitrate

tetrasilver;octakis(2-phenyl-1H-imidazole);tetranitrate (PubChem CID 139078083) has the molecular formula C72H64Ag4N20O12 and a molecular weight of 1832.90 g/mol. Its IUPAC name is tetrasilver;octakis(2-phenyl-1H-imidazole);tetranitrate.

Molecular Properties

Compound Nametetrasilver;octakis(2-phenyl-1H-imidazole);tetranitrate
PubChem CID139078083
Molecular FormulaC72H64Ag4N20O12
Molecular Weight1832.90 g/mol
Exact Mass1828.12
IUPAC Nametetrasilver;octakis(2-phenyl-1H-imidazole);tetranitrate
SMILESO=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Ag+].[Ag+].[Ag+].[Ag+].c1ccc(-c2ncc[nH]2)cc1.c1ccc(-c2ncc[nH]2)cc1.c1ccc(-c2ncc[nH]2)cc1.c1ccc(-c2ncc[nH]2)cc1.c1ccc(-c2ncc[nH]2)cc1.c1ccc(-c2ncc[nH]2)cc1.c1ccc(-c2ncc[nH]2)cc1.c1ccc(-c2ncc[nH]2)cc1
InChIInChI=1S/8C9H8N2.4Ag.4NO3/c8*1-2-4-8(5-3-1)9-10-6-7-11-9;;;;;4*2-1(3)4/h8*1-7H,(H,10,11);;;;;;;;/q;;;;;;;;4*+1;4*-1
InChIKeyJSCCHECIKZNTOA-UHFFFAOYSA-N
XLogP15.65
TPSA494.24 Ų
H-Bond Donors8
H-Bond Acceptors20
Rotatable Bonds8
Heavy Atoms108
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001832.90
LogP ≤ 515.65
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1020

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

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CID 175386038
ethane;2-phenyl-1H-imidazole
CID 142210082
CID 88515140
CID 88515140
3-(1H-imidazol-2-yl)-1-oxidopyridin-1-ium
CID 45120956
2-(1H-imidazol-2-yl)-6-phenylpyridine
CID 76900195
2-(5-phenylfuran-2-yl)-1H-imidazole
CID 19869723
4-(1H-imidazol-2-yl)benzoate
CID 6986647
4-(1H-imidazol-2-yl)benzoic acid;hydrochloride
CID 68829715
3-methylbenzoic acid;2-(4-nitrophenyl)-1H-imidazole
CID 142953107
2-(1H-imidazol-2-yl)phenolate
CID 132599402
2-(4-bromophenyl)-1H-imidazole;hydrobromide
CID 174990772
2-[4-(1H-imidazol-2-yl)phenyl]-1H-benzimidazole
CID 76845877

Frequently Asked Questions

What is the IUPAC name of tetrasilver;octakis(2-phenyl-1H-imidazole);tetranitrate?
The IUPAC name of tetrasilver;octakis(2-phenyl-1H-imidazole);tetranitrate (CID 139078083) is tetrasilver;octakis(2-phenyl-1H-imidazole);tetranitrate.
What is the SMILES notation for tetrasilver;octakis(2-phenyl-1H-imidazole);tetranitrate?
The canonical SMILES for tetrasilver;octakis(2-phenyl-1H-imidazole);tetranitrate is O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Ag+].[Ag+].[Ag+].[Ag+].c1ccc(-c2ncc[nH]2)cc1.c1ccc(-c2ncc[nH]2)cc1.c1ccc(-c2ncc[nH]2)cc1.c1ccc(-c2ncc[nH]2)cc1.c1ccc(-c2ncc[nH]2)cc1.c1ccc(-c2ncc[nH]2)cc1.c1ccc(-c2ncc[nH]2)cc1.c1ccc(-c2ncc[nH]2)cc1.
What is the InChIKey of tetrasilver;octakis(2-phenyl-1H-imidazole);tetranitrate?
The InChIKey is JSCCHECIKZNTOA-UHFFFAOYSA-N. The full InChI is InChI=1S/8C9H8N2.4Ag.4NO3/c8*1-2-4-8(5-3-1)9-10-6-7-11-9;;;;;4*2-1(3)4/h8*1-7H,(H,10,11);;;;;;;;/q;;;;;;;;4*+1;4*-1.
What are the key properties of tetrasilver;octakis(2-phenyl-1H-imidazole);tetranitrate?
tetrasilver;octakis(2-phenyl-1H-imidazole);tetranitrate has a molecular weight of 1832.90 g/mol, XLogP of 15.65, 8 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for tetrasilver;octakis(2-phenyl-1H-imidazole);tetranitrate is sourced from PubChem (CID 139078083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).