bis(copper(1+));tetrakis(2-methoxy-6-[methoxy(dipyridin-2-yl)methyl]pyridine);bis(trifluoromethanesulfonate)

C74H68Cu2F6N12O14S2 — CID 139134924

About bis(copper(1+));tetrakis(2-methoxy-6-[methoxy(dipyridin-2-yl)methyl]pyridine);bis(trifluoromethanesulfonate)

bis(copper(1+));tetrakis(2-methoxy-6-[methoxy(dipyridin-2-yl)methyl]pyridine);bis(trifluoromethanesulfonate) (PubChem CID 139134924) has the molecular formula C74H68Cu2F6N12O14S2 and a molecular weight of 1654.64 g/mol. Its IUPAC name is bis(copper(1+));tetrakis(2-methoxy-6-[methoxy(dipyridin-2-yl)methyl]pyridine);bis(trifluoromethanesulfonate).

Molecular Properties

• Compound Name: bis(copper(1+));tetrakis(2-methoxy-6-[methoxy(dipyridin-2-yl)methyl]pyridine);bis(trifluoromethanesulfonate)
• PubChem CID: 139134924
• Molecular Formula: C74H68Cu2F6N12O14S2
• Molecular Weight: 1654.64 g/mol
• Exact Mass: 1652.29
• IUPAC Name: bis(copper(1+));tetrakis(2-methoxy-6-[methoxy(dipyridin-2-yl)methyl]pyridine);bis(trifluoromethanesulfonate)
• SMILES: COc1cccc(C(OC)(c2ccccn2)c2ccccn2)n1.COc1cccc(C(OC)(c2ccccn2)c2ccccn2)n1.COc1cccc(C(OC)(c2ccccn2)c2ccccn2)n1.COc1cccc(C(OC)(c2ccccn2)c2ccccn2)n1.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Cu+].[Cu+]
• InChI: InChI=1S/4C18H17N3O2.2CHF3O3S.2Cu/c4*1-22-17-11-7-10-16(21-17)18(23-2,14-8-3-5-12-19-14)15-9-4-6-13-20-15;2*2-1(3,4)8(5,6)7;;/h4*3-13H,1-2H3;2*(H,5,6,7);;/q;;;;;;2*+1/p-2
• InChIKey: UJAPNAMNSJCPCY-UHFFFAOYSA-L
• XLogP: 11.37
• TPSA: 342.92 Ų
• H-Bond Acceptors: 26
• Rotatable Bonds: 20
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1654.64
LogP ≤ 5	11.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

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 bis(copper(1+));tetrakis(2-methoxy-6-[methoxy(dipyridin-2-yl)methyl]pyridine);bis(trifluoromethanesulfonate)?

The IUPAC name of bis(copper(1+));tetrakis(2-methoxy-6-[methoxy(dipyridin-2-yl)methyl]pyridine);bis(trifluoromethanesulfonate) (CID 139134924) is bis(copper(1+));tetrakis(2-methoxy-6-[methoxy(dipyridin-2-yl)methyl]pyridine);bis(trifluoromethanesulfonate).

What is the SMILES notation for bis(copper(1+));tetrakis(2-methoxy-6-[methoxy(dipyridin-2-yl)methyl]pyridine);bis(trifluoromethanesulfonate)?

The canonical SMILES for bis(copper(1+));tetrakis(2-methoxy-6-[methoxy(dipyridin-2-yl)methyl]pyridine);bis(trifluoromethanesulfonate) is COc1cccc(C(OC)(c2ccccn2)c2ccccn2)n1.COc1cccc(C(OC)(c2ccccn2)c2ccccn2)n1.COc1cccc(C(OC)(c2ccccn2)c2ccccn2)n1.COc1cccc(C(OC)(c2ccccn2)c2ccccn2)n1.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Cu+].[Cu+].

What is the InChIKey of bis(copper(1+));tetrakis(2-methoxy-6-[methoxy(dipyridin-2-yl)methyl]pyridine);bis(trifluoromethanesulfonate)?

The InChIKey is UJAPNAMNSJCPCY-UHFFFAOYSA-L. The full InChI is InChI=1S/4C18H17N3O2.2CHF3O3S.2Cu/c4*1-22-17-11-7-10-16(21-17)18(23-2,14-8-3-5-12-19-14)15-9-4-6-13-20-15;2*2-1(3,4)8(5,6)7;;/h4*3-13H,1-2H3;2*(H,5,6,7);;/q;;;;;;2*+1/p-2.

What are the key properties of bis(copper(1+));tetrakis(2-methoxy-6-[methoxy(dipyridin-2-yl)methyl]pyridine);bis(trifluoromethanesulfonate)?

bis(copper(1+));tetrakis(2-methoxy-6-[methoxy(dipyridin-2-yl)methyl]pyridine);bis(trifluoromethanesulfonate) has a molecular weight of 1654.64 g/mol, XLogP of 11.37, 20 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for bis(copper(1+));tetrakis(2-methoxy-6-[methoxy(dipyridin-2-yl)methyl]pyridine);bis(trifluoromethanesulfonate) is sourced from PubChem (CID 139134924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).