bromosilver;bis(1-butyl-3-methyl-2H-imidazol-2-ide);chlorogold;bis(2,6-di(imidazol-3-id-2-yl)pyridine);gold(3+);trifluoromethanesulfonate

C39H44AgAu2BrClF3N14O3S-4 — CID 158753234

About bromosilver;bis(1-butyl-3-methyl-2H-imidazol-2-ide);chlorogold;bis(2,6-di(imidazol-3-id-2-yl)pyridine);gold(3+);trifluoromethanesulfonate

bromosilver;bis(1-butyl-3-methyl-2H-imidazol-2-ide);chlorogold;bis(2,6-di(imidazol-3-id-2-yl)pyridine);gold(3+);trifluoromethanesulfonate (PubChem CID 158753234) has the molecular formula C39H44AgAu2BrClF3N14O3S-4 and a molecular weight of 1463.10 g/mol. Its IUPAC name is bromosilver;bis(1-butyl-3-methyl-2H-imidazol-2-ide);chlorogold;bis(2,6-di(imidazol-3-id-2-yl)pyridine);gold(3+);trifluoromethanesulfonate.

Molecular Properties

• Compound Name: bromosilver;bis(1-butyl-3-methyl-2H-imidazol-2-ide);chlorogold;bis(2,6-di(imidazol-3-id-2-yl)pyridine);gold(3+);trifluoromethanesulfonate
• PubChem CID: 158753234
• Molecular Formula: C39H44AgAu2BrClF3N14O3S-4
• Molecular Weight: 1463.10 g/mol
• Exact Mass: 1460.07
• IUPAC Name: bromosilver;bis(1-butyl-3-methyl-2H-imidazol-2-ide);chlorogold;bis(2,6-di(imidazol-3-id-2-yl)pyridine);gold(3+);trifluoromethanesulfonate
• SMILES: Br[Ag].CCCCN1C=CN(C)[CH-]1.CCCCN1C=CN(C)[CH-]1.Cl[Au].O=S(=O)([O-])C(F)(F)F.[Au+3].c1cc(-c2ncc[n-]2)nc(-c2ncc[n-]2)c1.c1cc(-c2ncc[n-]2)nc(-c2ncc[n-]2)c1
• InChI: InChI=1S/2C11H7N5.2C8H15N2.CHF3O3S.Ag.2Au.BrH.ClH/c2*1-2-8(10-12-4-5-13-10)16-9(3-1)11-14-6-7-15-11;2*1-3-4-5-10-7-6-9(2)8-10;2-1(3,4)8(5,6)7;;;;;/h2*1-7H;2*6-8H,3-5H2,1-2H3;(H,5,6,7);;;;2*1H/q2*-2;2*-1;;2*+1;+3;;/p-3
• InChIKey: VQLWRWBZANZPRI-UHFFFAOYSA-K
• XLogP: 7.07
• TPSA: 203.90 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 10
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1463.10
LogP ≤ 5	7.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bromosilver;bis(1-butyl-3-methyl-2H-imidazol-2-ide);chlorogold;bis(2,6-di(imidazol-3-id-2-yl)pyridine);gold(3+);trifluoromethanesulfonate?

The IUPAC name of bromosilver;bis(1-butyl-3-methyl-2H-imidazol-2-ide);chlorogold;bis(2,6-di(imidazol-3-id-2-yl)pyridine);gold(3+);trifluoromethanesulfonate (CID 158753234) is bromosilver;bis(1-butyl-3-methyl-2H-imidazol-2-ide);chlorogold;bis(2,6-di(imidazol-3-id-2-yl)pyridine);gold(3+);trifluoromethanesulfonate.

What is the SMILES notation for bromosilver;bis(1-butyl-3-methyl-2H-imidazol-2-ide);chlorogold;bis(2,6-di(imidazol-3-id-2-yl)pyridine);gold(3+);trifluoromethanesulfonate?

The canonical SMILES for bromosilver;bis(1-butyl-3-methyl-2H-imidazol-2-ide);chlorogold;bis(2,6-di(imidazol-3-id-2-yl)pyridine);gold(3+);trifluoromethanesulfonate is Br[Ag].CCCCN1C=CN(C)[CH-]1.CCCCN1C=CN(C)[CH-]1.Cl[Au].O=S(=O)([O-])C(F)(F)F.[Au+3].c1cc(-c2ncc[n-]2)nc(-c2ncc[n-]2)c1.c1cc(-c2ncc[n-]2)nc(-c2ncc[n-]2)c1.

What is the InChIKey of bromosilver;bis(1-butyl-3-methyl-2H-imidazol-2-ide);chlorogold;bis(2,6-di(imidazol-3-id-2-yl)pyridine);gold(3+);trifluoromethanesulfonate?

The InChIKey is VQLWRWBZANZPRI-UHFFFAOYSA-K. The full InChI is InChI=1S/2C11H7N5.2C8H15N2.CHF3O3S.Ag.2Au.BrH.ClH/c2*1-2-8(10-12-4-5-13-10)16-9(3-1)11-14-6-7-15-11;2*1-3-4-5-10-7-6-9(2)8-10;2-1(3,4)8(5,6)7;;;;;/h2*1-7H;2*6-8H,3-5H2,1-2H3;(H,5,6,7);;;;2*1H/q2*-2;2*-1;;2*+1;+3;;/p-3.

What are the key properties of bromosilver;bis(1-butyl-3-methyl-2H-imidazol-2-ide);chlorogold;bis(2,6-di(imidazol-3-id-2-yl)pyridine);gold(3+);trifluoromethanesulfonate?

bromosilver;bis(1-butyl-3-methyl-2H-imidazol-2-ide);chlorogold;bis(2,6-di(imidazol-3-id-2-yl)pyridine);gold(3+);trifluoromethanesulfonate has a molecular weight of 1463.10 g/mol, XLogP of 7.07, 10 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for bromosilver;bis(1-butyl-3-methyl-2H-imidazol-2-ide);chlorogold;bis(2,6-di(imidazol-3-id-2-yl)pyridine);gold(3+);trifluoromethanesulfonate is sourced from PubChem (CID 158753234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).