Disilver;bis(1-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]benzimidazole);bis(trifluoromethanesulfonate)

C₄₆H₃₆Ag₂F₆N₈O₆S₂ — CID 139131436

About Disilver;bis(1-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]benzimidazole);bis(trifluoromethanesulfonate)

Disilver;bis(1-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]benzimidazole);bis(trifluoromethanesulfonate) (PubChem CID 139131436) has the molecular formula C₄₆H₃₆Ag₂F₆N₈O₆S₂ and a molecular weight of 1190.70 g/mol. Its IUPAC name is disilver;bis(1-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]benzimidazole);bis(trifluoromethanesulfonate).

Molecular Properties

• Compound Name: Disilver;bis(1-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]benzimidazole);bis(trifluoromethanesulfonate)
• PubChem CID: 139131436
• Molecular Formula: C₄₆H₃₆Ag₂F₆N₈O₆S₂
• Molecular Weight: 1190.70 g/mol
• Exact Mass: 1188.02
• IUPAC Name: disilver;bis(1-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]benzimidazole);bis(trifluoromethanesulfonate)
• SMILES: O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Ag+].[Ag+].c1cc(Cn2cnc3ccccc32)cc(Cn2cnc3ccccc32)c1.c1cc(Cn2cnc3ccccc32)cc(Cn2cnc3ccccc32)c1
• InChI: InChI=1S/2C22H18N4.2CHF3O3S.2Ag/c2*1-3-10-21-19(8-1)23-15-25(21)13-17-6-5-7-18(12-17)14-26-16-24-20-9-2-4-11-22(20)26;2*2-1(3,4)8(5,6)7;;/h2*1-12,15-16H,13-14H2;2*(H,5,6,7);;/q;;;;2*+1/p-2
• InChIKey: WRKVYYRUAAUETD-UHFFFAOYSA-L
• XLogP: 9.06
• TPSA: 185.68 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 8
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1190.70
LogP ≤ 5	9.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Disilver;bis(1-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]benzimidazole);bis(trifluoromethanesulfonate)?

The IUPAC name of Disilver;bis(1-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]benzimidazole);bis(trifluoromethanesulfonate) (CID 139131436) is disilver;bis(1-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]benzimidazole);bis(trifluoromethanesulfonate).

What is the SMILES notation for Disilver;bis(1-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]benzimidazole);bis(trifluoromethanesulfonate)?

The canonical SMILES for Disilver;bis(1-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]benzimidazole);bis(trifluoromethanesulfonate) is O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Ag+].[Ag+].c1cc(Cn2cnc3ccccc32)cc(Cn2cnc3ccccc32)c1.c1cc(Cn2cnc3ccccc32)cc(Cn2cnc3ccccc32)c1.

What is the InChIKey of Disilver;bis(1-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]benzimidazole);bis(trifluoromethanesulfonate)?

The InChIKey is WRKVYYRUAAUETD-UHFFFAOYSA-L. The full InChI is InChI=1S/2C22H18N4.2CHF3O3S.2Ag/c2*1-3-10-21-19(8-1)23-15-25(21)13-17-6-5-7-18(12-17)14-26-16-24-20-9-2-4-11-22(20)26;2*2-1(3,4)8(5,6)7;;/h2*1-12,15-16H,13-14H2;2*(H,5,6,7);;/q;;;;2*+1/p-2.

What are the key properties of Disilver;bis(1-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]benzimidazole);bis(trifluoromethanesulfonate)?

Disilver;bis(1-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]benzimidazole);bis(trifluoromethanesulfonate) has a molecular weight of 1190.70 g/mol, XLogP of 9.06, 8 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for Disilver;bis(1-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]benzimidazole);bis(trifluoromethanesulfonate) is sourced from PubChem (CID 139131436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 139131436 — identifiers, structure, computed properties (public domain)

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