disilver;bis(2-[3,5-bis(1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole);bis(trifluoromethanesulfonate)

C56H36Ag2F6N12O6S2 — CID 139129189

About disilver;bis(2-[3,5-bis(1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole);bis(trifluoromethanesulfonate)

disilver;bis(2-[3,5-bis(1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole);bis(trifluoromethanesulfonate) (PubChem CID 139129189) has the molecular formula C56H36Ag2F6N12O6S2 and a molecular weight of 1366.84 g/mol. Its IUPAC name is disilver;bis(2-[3,5-bis(1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole);bis(trifluoromethanesulfonate).

Molecular Properties

• Compound Name: disilver;bis(2-[3,5-bis(1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole);bis(trifluoromethanesulfonate)
• PubChem CID: 139129189
• Molecular Formula: C56H36Ag2F6N12O6S2
• Molecular Weight: 1366.84 g/mol
• Exact Mass: 1364.03
• IUPAC Name: disilver;bis(2-[3,5-bis(1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole);bis(trifluoromethanesulfonate)
• SMILES: O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Ag+].[Ag+].c1ccc2[nH]c(-c3cc(-c4nc5ccccc5[nH]4)cc(-c4nc5ccccc5[nH]4)c3)nc2c1.c1ccc2[nH]c(-c3cc(-c4nc5ccccc5[nH]4)cc(-c4nc5ccccc5[nH]4)c3)nc2c1
• InChI: InChI=1S/2C27H18N6.2CHF3O3S.2Ag/c2*1-2-8-20-19(7-1)28-25(29-20)16-13-17(26-30-21-9-3-4-10-22(21)31-26)15-18(14-16)27-32-23-11-5-6-12-24(23)33-27;2*2-1(3,4)8(5,6)7;;/h2*1-15H,(H,28,29)(H,30,31)(H,32,33);2*(H,5,6,7);;/q;;;;2*+1/p-2
• InChIKey: JHLQNTKNGYXFJY-UHFFFAOYSA-L
• XLogP: 12.73
• TPSA: 286.48 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 12
• Rotatable Bonds: 6
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1366.84
LogP ≤ 5	12.73
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	12

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(2-[3,5-bis(1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole);bis(trifluoromethanesulfonate)?

The IUPAC name of disilver;bis(2-[3,5-bis(1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole);bis(trifluoromethanesulfonate) (CID 139129189) is disilver;bis(2-[3,5-bis(1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole);bis(trifluoromethanesulfonate).

What is the SMILES notation for disilver;bis(2-[3,5-bis(1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole);bis(trifluoromethanesulfonate)?

The canonical SMILES for disilver;bis(2-[3,5-bis(1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole);bis(trifluoromethanesulfonate) is O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Ag+].[Ag+].c1ccc2[nH]c(-c3cc(-c4nc5ccccc5[nH]4)cc(-c4nc5ccccc5[nH]4)c3)nc2c1.c1ccc2[nH]c(-c3cc(-c4nc5ccccc5[nH]4)cc(-c4nc5ccccc5[nH]4)c3)nc2c1.

What is the InChIKey of disilver;bis(2-[3,5-bis(1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole);bis(trifluoromethanesulfonate)?

The InChIKey is JHLQNTKNGYXFJY-UHFFFAOYSA-L. The full InChI is InChI=1S/2C27H18N6.2CHF3O3S.2Ag/c2*1-2-8-20-19(7-1)28-25(29-20)16-13-17(26-30-21-9-3-4-10-22(21)31-26)15-18(14-16)27-32-23-11-5-6-12-24(23)33-27;2*2-1(3,4)8(5,6)7;;/h2*1-15H,(H,28,29)(H,30,31)(H,32,33);2*(H,5,6,7);;/q;;;;2*+1/p-2.

What are the key properties of disilver;bis(2-[3,5-bis(1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole);bis(trifluoromethanesulfonate)?

disilver;bis(2-[3,5-bis(1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole);bis(trifluoromethanesulfonate) has a molecular weight of 1366.84 g/mol, XLogP of 12.73, 6 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for disilver;bis(2-[3,5-bis(1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole);bis(trifluoromethanesulfonate) is sourced from PubChem (CID 139129189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).