disilver;tetrakis(2-(3-nitro-4-prop-2-enoxyphenyl)-1H-benzimidazole);dinitrate

C64H52Ag2N14O18 — CID 139201536

About disilver;tetrakis(2-(3-nitro-4-prop-2-enoxyphenyl)-1H-benzimidazole);dinitrate

disilver;tetrakis(2-(3-nitro-4-prop-2-enoxyphenyl)-1H-benzimidazole);dinitrate (PubChem CID 139201536) has the molecular formula C64H52Ag2N14O18 and a molecular weight of 1520.94 g/mol. Its IUPAC name is disilver;tetrakis(2-(3-nitro-4-prop-2-enoxyphenyl)-1H-benzimidazole);dinitrate.

Molecular Properties

• Compound Name: disilver;tetrakis(2-(3-nitro-4-prop-2-enoxyphenyl)-1H-benzimidazole);dinitrate
• PubChem CID: 139201536
• Molecular Formula: C64H52Ag2N14O18
• Molecular Weight: 1520.94 g/mol
• Exact Mass: 1518.17
• IUPAC Name: disilver;tetrakis(2-(3-nitro-4-prop-2-enoxyphenyl)-1H-benzimidazole);dinitrate
• SMILES: C=CCOc1ccc(-c2nc3ccccc3[nH]2)cc1[N+](=O)[O-].C=CCOc1ccc(-c2nc3ccccc3[nH]2)cc1[N+](=O)[O-].C=CCOc1ccc(-c2nc3ccccc3[nH]2)cc1[N+](=O)[O-].C=CCOc1ccc(-c2nc3ccccc3[nH]2)cc1[N+](=O)[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Ag+].[Ag+]
• InChI: InChI=1S/4C16H13N3O3.2Ag.2NO3/c4*1-2-9-22-15-8-7-11(10-14(15)19(20)21)16-17-12-5-3-4-6-13(12)18-16;;;2*2-1(3)4/h4*2-8,10H,1,9H2,(H,17,18);;;;/q;;;;2*+1;2*-1
• InChIKey: VIPKIJOETVZXIJ-UHFFFAOYSA-N
• XLogP: 14.33
• TPSA: 456.60 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 22
• Rotatable Bonds: 20
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1520.94
LogP ≤ 5	14.33
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of disilver;tetrakis(2-(3-nitro-4-prop-2-enoxyphenyl)-1H-benzimidazole);dinitrate?

The IUPAC name of disilver;tetrakis(2-(3-nitro-4-prop-2-enoxyphenyl)-1H-benzimidazole);dinitrate (CID 139201536) is disilver;tetrakis(2-(3-nitro-4-prop-2-enoxyphenyl)-1H-benzimidazole);dinitrate.

What is the SMILES notation for disilver;tetrakis(2-(3-nitro-4-prop-2-enoxyphenyl)-1H-benzimidazole);dinitrate?

The canonical SMILES for disilver;tetrakis(2-(3-nitro-4-prop-2-enoxyphenyl)-1H-benzimidazole);dinitrate is C=CCOc1ccc(-c2nc3ccccc3[nH]2)cc1[N+](=O)[O-].C=CCOc1ccc(-c2nc3ccccc3[nH]2)cc1[N+](=O)[O-].C=CCOc1ccc(-c2nc3ccccc3[nH]2)cc1[N+](=O)[O-].C=CCOc1ccc(-c2nc3ccccc3[nH]2)cc1[N+](=O)[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Ag+].[Ag+].

What is the InChIKey of disilver;tetrakis(2-(3-nitro-4-prop-2-enoxyphenyl)-1H-benzimidazole);dinitrate?

The InChIKey is VIPKIJOETVZXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/4C16H13N3O3.2Ag.2NO3/c4*1-2-9-22-15-8-7-11(10-14(15)19(20)21)16-17-12-5-3-4-6-13(12)18-16;;;2*2-1(3)4/h4*2-8,10H,1,9H2,(H,17,18);;;;/q;;;;2*+1;2*-1.

What are the key properties of disilver;tetrakis(2-(3-nitro-4-prop-2-enoxyphenyl)-1H-benzimidazole);dinitrate?

disilver;tetrakis(2-(3-nitro-4-prop-2-enoxyphenyl)-1H-benzimidazole);dinitrate has a molecular weight of 1520.94 g/mol, XLogP of 14.33, 20 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for disilver;tetrakis(2-(3-nitro-4-prop-2-enoxyphenyl)-1H-benzimidazole);dinitrate is sourced from PubChem (CID 139201536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).