disilver;bis(dichloromethane);gold(1+);bis(N-phenyl-1,3-bis(2,4,6-trimethylphenyl)imidazol-1-ium-2-carboximidothioate);tetrakis(trifluoromethanesulfonate)

C62H62Ag2AuCl4F12N6O12S6- — CID 139156648

About disilver;bis(dichloromethane);gold(1+);bis(N-phenyl-1,3-bis(2,4,6-trimethylphenyl)imidazol-1-ium-2-carboximidothioate);tetrakis(trifluoromethanesulfonate)

disilver;bis(dichloromethane);gold(1+);bis(N-phenyl-1,3-bis(2,4,6-trimethylphenyl)imidazol-1-ium-2-carboximidothioate);tetrakis(trifluoromethanesulfonate) (PubChem CID 139156648) has the molecular formula C62H62Ag2AuCl4F12N6O12S6- and a molecular weight of 2058.10 g/mol. Its IUPAC name is disilver;bis(dichloromethane);gold(1+);bis(N-phenyl-1,3-bis(2,4,6-trimethylphenyl)imidazol-1-ium-2-carboximidothioate);tetrakis(trifluoromethanesulfonate).

Molecular Properties

• Compound Name: disilver;bis(dichloromethane);gold(1+);bis(N-phenyl-1,3-bis(2,4,6-trimethylphenyl)imidazol-1-ium-2-carboximidothioate);tetrakis(trifluoromethanesulfonate)
• PubChem CID: 139156648
• Molecular Formula: C62H62Ag2AuCl4F12N6O12S6-
• Molecular Weight: 2058.10 g/mol
• Exact Mass: 2052.91
• IUPAC Name: disilver;bis(dichloromethane);gold(1+);bis(N-phenyl-1,3-bis(2,4,6-trimethylphenyl)imidazol-1-ium-2-carboximidothioate);tetrakis(trifluoromethanesulfonate)
• SMILES: Cc1cc(C)c(-n2cc[n+](-c3c(C)cc(C)cc3C)c2/C([S-])=N\c2ccccc2)c(C)c1.Cc1cc(C)c(-n2cc[n+](-c3c(C)cc(C)cc3C)c2/C([S-])=N\c2ccccc2)c(C)c1.ClCCl.ClCCl.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Ag+].[Ag+].[Au+]
• InChI: InChI=1S/2C28H29N3S.2CH2Cl2.4CHF3O3S.2Ag.Au/c2*1-18-14-20(3)25(21(4)15-18)30-12-13-31(26-22(5)16-19(2)17-23(26)6)28(30)27(32)29-24-10-8-7-9-11-24;2*2-1-3;4*2-1(3,4)8(5,6)7;;;/h2*7-17H,1-6H3;2*1H2;4*(H,5,6,7);;;/q;;;;;;;;3*+1/p-4
• InChIKey: ZBESWLHZSVFIPM-UHFFFAOYSA-J
• XLogP: 15.50
• TPSA: 271.14 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 8
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2058.10
LogP ≤ 5	15.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of disilver;bis(dichloromethane);gold(1+);bis(N-phenyl-1,3-bis(2,4,6-trimethylphenyl)imidazol-1-ium-2-carboximidothioate);tetrakis(trifluoromethanesulfonate)?

The IUPAC name of disilver;bis(dichloromethane);gold(1+);bis(N-phenyl-1,3-bis(2,4,6-trimethylphenyl)imidazol-1-ium-2-carboximidothioate);tetrakis(trifluoromethanesulfonate) (CID 139156648) is disilver;bis(dichloromethane);gold(1+);bis(N-phenyl-1,3-bis(2,4,6-trimethylphenyl)imidazol-1-ium-2-carboximidothioate);tetrakis(trifluoromethanesulfonate).

What is the SMILES notation for disilver;bis(dichloromethane);gold(1+);bis(N-phenyl-1,3-bis(2,4,6-trimethylphenyl)imidazol-1-ium-2-carboximidothioate);tetrakis(trifluoromethanesulfonate)?

The canonical SMILES for disilver;bis(dichloromethane);gold(1+);bis(N-phenyl-1,3-bis(2,4,6-trimethylphenyl)imidazol-1-ium-2-carboximidothioate);tetrakis(trifluoromethanesulfonate) is Cc1cc(C)c(-n2cc[n+](-c3c(C)cc(C)cc3C)c2/C([S-])=N\c2ccccc2)c(C)c1.Cc1cc(C)c(-n2cc[n+](-c3c(C)cc(C)cc3C)c2/C([S-])=N\c2ccccc2)c(C)c1.ClCCl.ClCCl.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Ag+].[Ag+].[Au+].

What is the InChIKey of disilver;bis(dichloromethane);gold(1+);bis(N-phenyl-1,3-bis(2,4,6-trimethylphenyl)imidazol-1-ium-2-carboximidothioate);tetrakis(trifluoromethanesulfonate)?

The InChIKey is ZBESWLHZSVFIPM-UHFFFAOYSA-J. The full InChI is InChI=1S/2C28H29N3S.2CH2Cl2.4CHF3O3S.2Ag.Au/c2*1-18-14-20(3)25(21(4)15-18)30-12-13-31(26-22(5)16-19(2)17-23(26)6)28(30)27(32)29-24-10-8-7-9-11-24;2*2-1-3;4*2-1(3,4)8(5,6)7;;;/h2*7-17H,1-6H3;2*1H2;4*(H,5,6,7);;;/q;;;;;;;;3*+1/p-4.

What are the key properties of disilver;bis(dichloromethane);gold(1+);bis(N-phenyl-1,3-bis(2,4,6-trimethylphenyl)imidazol-1-ium-2-carboximidothioate);tetrakis(trifluoromethanesulfonate)?

disilver;bis(dichloromethane);gold(1+);bis(N-phenyl-1,3-bis(2,4,6-trimethylphenyl)imidazol-1-ium-2-carboximidothioate);tetrakis(trifluoromethanesulfonate) has a molecular weight of 2058.10 g/mol, XLogP of 15.50, 8 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for disilver;bis(dichloromethane);gold(1+);bis(N-phenyl-1,3-bis(2,4,6-trimethylphenyl)imidazol-1-ium-2-carboximidothioate);tetrakis(trifluoromethanesulfonate) is sourced from PubChem (CID 139156648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).