disilver;bis(1-[[3-(benzimidazol-1-ylmethyl)-2,4,6-trimethylphenyl]methyl]benzimidazole);bis(trifluoromethanesulfonate)

C52H48Ag2F6N8O6S2 — CID 139119653

About disilver;bis(1-[[3-(benzimidazol-1-ylmethyl)-2,4,6-trimethylphenyl]methyl]benzimidazole);bis(trifluoromethanesulfonate)

disilver;bis(1-[[3-(benzimidazol-1-ylmethyl)-2,4,6-trimethylphenyl]methyl]benzimidazole);bis(trifluoromethanesulfonate) (PubChem CID 139119653) has the molecular formula C52H48Ag2F6N8O6S2 and a molecular weight of 1274.86 g/mol. Its IUPAC name is disilver;bis(1-[[3-(benzimidazol-1-ylmethyl)-2,4,6-trimethylphenyl]methyl]benzimidazole);bis(trifluoromethanesulfonate).

Molecular Properties

• Compound Name: disilver;bis(1-[[3-(benzimidazol-1-ylmethyl)-2,4,6-trimethylphenyl]methyl]benzimidazole);bis(trifluoromethanesulfonate)
• PubChem CID: 139119653
• Molecular Formula: C52H48Ag2F6N8O6S2
• Molecular Weight: 1274.86 g/mol
• Exact Mass: 1272.11
• IUPAC Name: disilver;bis(1-[[3-(benzimidazol-1-ylmethyl)-2,4,6-trimethylphenyl]methyl]benzimidazole);bis(trifluoromethanesulfonate)
• SMILES: Cc1cc(C)c(Cn2cnc3ccccc32)c(C)c1Cn1cnc2ccccc21.Cc1cc(C)c(Cn2cnc3ccccc32)c(C)c1Cn1cnc2ccccc21.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Ag+].[Ag+]
• InChI: InChI=1S/2C25H24N4.2CHF3O3S.2Ag/c2*1-17-12-18(2)21(14-29-16-27-23-9-5-7-11-25(23)29)19(3)20(17)13-28-15-26-22-8-4-6-10-24(22)28;2*2-1(3,4)8(5,6)7;;/h2*4-12,15-16H,13-14H2,1-3H3;2*(H,5,6,7);;/q;;;;2*+1/p-2
• InChIKey: CLRURKUGVGHYBB-UHFFFAOYSA-L
• XLogP: 10.91
• TPSA: 185.68 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 8
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1274.86
LogP ≤ 5	10.91
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)-2,4,6-trimethylphenyl]methyl]benzimidazole);bis(trifluoromethanesulfonate)?

The IUPAC name of disilver;bis(1-[[3-(benzimidazol-1-ylmethyl)-2,4,6-trimethylphenyl]methyl]benzimidazole);bis(trifluoromethanesulfonate) (CID 139119653) is disilver;bis(1-[[3-(benzimidazol-1-ylmethyl)-2,4,6-trimethylphenyl]methyl]benzimidazole);bis(trifluoromethanesulfonate).

What is the SMILES notation for disilver;bis(1-[[3-(benzimidazol-1-ylmethyl)-2,4,6-trimethylphenyl]methyl]benzimidazole);bis(trifluoromethanesulfonate)?

The canonical SMILES for disilver;bis(1-[[3-(benzimidazol-1-ylmethyl)-2,4,6-trimethylphenyl]methyl]benzimidazole);bis(trifluoromethanesulfonate) is Cc1cc(C)c(Cn2cnc3ccccc32)c(C)c1Cn1cnc2ccccc21.Cc1cc(C)c(Cn2cnc3ccccc32)c(C)c1Cn1cnc2ccccc21.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Ag+].[Ag+].

What is the InChIKey of disilver;bis(1-[[3-(benzimidazol-1-ylmethyl)-2,4,6-trimethylphenyl]methyl]benzimidazole);bis(trifluoromethanesulfonate)?

The InChIKey is CLRURKUGVGHYBB-UHFFFAOYSA-L. The full InChI is InChI=1S/2C25H24N4.2CHF3O3S.2Ag/c2*1-17-12-18(2)21(14-29-16-27-23-9-5-7-11-25(23)29)19(3)20(17)13-28-15-26-22-8-4-6-10-24(22)28;2*2-1(3,4)8(5,6)7;;/h2*4-12,15-16H,13-14H2,1-3H3;2*(H,5,6,7);;/q;;;;2*+1/p-2.

What are the key properties of disilver;bis(1-[[3-(benzimidazol-1-ylmethyl)-2,4,6-trimethylphenyl]methyl]benzimidazole);bis(trifluoromethanesulfonate)?

disilver;bis(1-[[3-(benzimidazol-1-ylmethyl)-2,4,6-trimethylphenyl]methyl]benzimidazole);bis(trifluoromethanesulfonate) has a molecular weight of 1274.86 g/mol, XLogP of 10.91, 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)-2,4,6-trimethylphenyl]methyl]benzimidazole);bis(trifluoromethanesulfonate) is sourced from PubChem (CID 139119653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).