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

C63H92AgAu2BrClF3N14O3S-4 — CID 159601776

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

bromosilver;chlorogold;bis(2,6-di(imidazol-3-id-2-yl)pyridine);gold(3+);bis(1-hexadecyl-3-methyl-2H-imidazol-2-ide);trifluoromethanesulfonate (PubChem CID 159601776) has the molecular formula C63H92AgAu2BrClF3N14O3S-4 and a molecular weight of 1799.74 g/mol. Its IUPAC name is bromosilver;chlorogold;bis(2,6-di(imidazol-3-id-2-yl)pyridine);gold(3+);bis(1-hexadecyl-3-methyl-2H-imidazol-2-ide);trifluoromethanesulfonate.

Molecular Properties

• Compound Name: bromosilver;chlorogold;bis(2,6-di(imidazol-3-id-2-yl)pyridine);gold(3+);bis(1-hexadecyl-3-methyl-2H-imidazol-2-ide);trifluoromethanesulfonate
• PubChem CID: 159601776
• Molecular Formula: C63H92AgAu2BrClF3N14O3S-4
• Molecular Weight: 1799.74 g/mol
• Exact Mass: 1796.44
• IUPAC Name: bromosilver;chlorogold;bis(2,6-di(imidazol-3-id-2-yl)pyridine);gold(3+);bis(1-hexadecyl-3-methyl-2H-imidazol-2-ide);trifluoromethanesulfonate
• SMILES: Br[Ag].CCCCCCCCCCCCCCCCN1C=CN(C)[CH-]1.CCCCCCCCCCCCCCCCN1C=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/2C20H39N2.2C11H7N5.CHF3O3S.Ag.2Au.BrH.ClH/c2*1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-19-18-21(2)20-22;2*1-2-8(10-12-4-5-13-10)16-9(3-1)11-14-6-7-15-11;2-1(3,4)8(5,6)7;;;;;/h2*18-20H,3-17H2,1-2H3;2*1-7H;(H,5,6,7);;;;2*1H/q2*-1;2*-2;;2*+1;+3;;/p-3
• InChIKey: AVPXUZTVHWLTFB-UHFFFAOYSA-K
• XLogP: 16.43
• TPSA: 203.90 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 34
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1799.74
LogP ≤ 5	16.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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;chlorogold;bis(2,6-di(imidazol-3-id-2-yl)pyridine);gold(3+);bis(1-hexadecyl-3-methyl-2H-imidazol-2-ide);trifluoromethanesulfonate?

The IUPAC name of bromosilver;chlorogold;bis(2,6-di(imidazol-3-id-2-yl)pyridine);gold(3+);bis(1-hexadecyl-3-methyl-2H-imidazol-2-ide);trifluoromethanesulfonate (CID 159601776) is bromosilver;chlorogold;bis(2,6-di(imidazol-3-id-2-yl)pyridine);gold(3+);bis(1-hexadecyl-3-methyl-2H-imidazol-2-ide);trifluoromethanesulfonate.

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

The canonical SMILES for bromosilver;chlorogold;bis(2,6-di(imidazol-3-id-2-yl)pyridine);gold(3+);bis(1-hexadecyl-3-methyl-2H-imidazol-2-ide);trifluoromethanesulfonate is Br[Ag].CCCCCCCCCCCCCCCCN1C=CN(C)[CH-]1.CCCCCCCCCCCCCCCCN1C=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;chlorogold;bis(2,6-di(imidazol-3-id-2-yl)pyridine);gold(3+);bis(1-hexadecyl-3-methyl-2H-imidazol-2-ide);trifluoromethanesulfonate?

The InChIKey is AVPXUZTVHWLTFB-UHFFFAOYSA-K. The full InChI is InChI=1S/2C20H39N2.2C11H7N5.CHF3O3S.Ag.2Au.BrH.ClH/c2*1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-19-18-21(2)20-22;2*1-2-8(10-12-4-5-13-10)16-9(3-1)11-14-6-7-15-11;2-1(3,4)8(5,6)7;;;;;/h2*18-20H,3-17H2,1-2H3;2*1-7H;(H,5,6,7);;;;2*1H/q2*-1;2*-2;;2*+1;+3;;/p-3.

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

bromosilver;chlorogold;bis(2,6-di(imidazol-3-id-2-yl)pyridine);gold(3+);bis(1-hexadecyl-3-methyl-2H-imidazol-2-ide);trifluoromethanesulfonate has a molecular weight of 1799.74 g/mol, XLogP of 16.43, 34 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for bromosilver;chlorogold;bis(2,6-di(imidazol-3-id-2-yl)pyridine);gold(3+);bis(1-hexadecyl-3-methyl-2H-imidazol-2-ide);trifluoromethanesulfonate is sourced from PubChem (CID 159601776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).