tetrasilver;2,8,14,20,26,32,38-heptamethyl-2,8,14,20,26,32,38,43,44,45,46,47,48,49-tetradecazaoctacyclo[37.3.1.13,7.19,13.115,19.121,25.127,31.133,37]nonatetraconta-1(43),3(49),4,6,9(48),10,12,15(47),16,18,21(46),22,24,27,29,31(45),33,35,37(44),39,41-henicosaene;methanol;tris(trifluoromethanesulfonate);chloride

C46H46Ag4ClF9N14O10S3 — CID 139050241

About tetrasilver;2,8,14,20,26,32,38-heptamethyl-2,8,14,20,26,32,38,43,44,45,46,47,48,49-tetradecazaoctacyclo[37.3.1.13,7.19,13.115,19.121,25.127,31.133,37]nonatetraconta-1(43),3(49),4,6,9(48),10,12,15(47),16,18,21(46),22,24,27,29,31(45),33,35,37(44),39,41-henicosaene;methanol;tris(trifluoromethanesulfonate);chloride

tetrasilver;2,8,14,20,26,32,38-heptamethyl-2,8,14,20,26,32,38,43,44,45,46,47,48,49-tetradecazaoctacyclo[37.3.1.13,7.19,13.115,19.121,25.127,31.133,37]nonatetraconta-1(43),3(49),4,6,9(48),10,12,15(47),16,18,21(46),22,24,27,29,31(45),33,35,37(44),39,41-henicosaene;methanol;tris(trifluoromethanesulfonate);chloride (PubChem CID 139050241) has the molecular formula C46H46Ag4ClF9N14O10S3 and a molecular weight of 1689.07 g/mol. Its IUPAC name is tetrasilver;2,8,14,20,26,32,38-heptamethyl-2,8,14,20,26,32,38,43,44,45,46,47,48,49-tetradecazaoctacyclo[37.3.1.13,7.19,13.115,19.121,25.127,31.133,37]nonatetraconta-1(43),3(49),4,6,9(48),10,12,15(47),16,18,21(46),22,24,27,29,31(45),33,35,37(44),39,41-henicosaene;methanol;tris(trifluoromethanesulfonate);chloride.

Molecular Properties

• Compound Name: tetrasilver;2,8,14,20,26,32,38-heptamethyl-2,8,14,20,26,32,38,43,44,45,46,47,48,49-tetradecazaoctacyclo[37.3.1.13,7.19,13.115,19.121,25.127,31.133,37]nonatetraconta-1(43),3(49),4,6,9(48),10,12,15(47),16,18,21(46),22,24,27,29,31(45),33,35,37(44),39,41-henicosaene;methanol;tris(trifluoromethanesulfonate);chloride
• PubChem CID: 139050241
• Molecular Formula: C46H46Ag4ClF9N14O10S3
• Molecular Weight: 1689.07 g/mol
• Exact Mass: 1683.84
• IUPAC Name: tetrasilver;2,8,14,20,26,32,38-heptamethyl-2,8,14,20,26,32,38,43,44,45,46,47,48,49-tetradecazaoctacyclo[37.3.1.13,7.19,13.115,19.121,25.127,31.133,37]nonatetraconta-1(43),3(49),4,6,9(48),10,12,15(47),16,18,21(46),22,24,27,29,31(45),33,35,37(44),39,41-henicosaene;methanol;tris(trifluoromethanesulfonate);chloride
• SMILES: CN1c2cccc(n2)N(C)c2cccc(n2)N(C)c2cccc(n2)N(C)c2cccc(n2)N(C)c2cccc(n2)N(C)c2cccc(n2)N(C)c2cccc1n2.CO.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+].[Ag+].[Ag+].[Cl-]
• InChI: InChI=1S/C42H42N14.3CHF3O3S.CH4O.4Ag.ClH/c1-50-29-15-8-17-31(43-29)51(2)33-19-10-21-35(45-33)53(4)37-23-12-25-39(47-37)55(6)41-27-14-28-42(49-41)56(7)40-26-13-24-38(48-40)54(5)36-22-11-20-34(46-36)52(3)32-18-9-16-30(50)44-32;3*2-1(3,4)8(5,6)7;1-2;;;;;/h8-28H,1-7H3;3*(H,5,6,7);2H,1H3;;;;;1H/q;;;;;4*+1;/p-4
• InChIKey: LARZECPFJMCWJC-UHFFFAOYSA-J
• XLogP: 4.90
• TPSA: 304.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 24
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1689.07
LogP ≤ 5	4.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	24

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 tetrasilver;2,8,14,20,26,32,38-heptamethyl-2,8,14,20,26,32,38,43,44,45,46,47,48,49-tetradecazaoctacyclo[37.3.1.13,7.19,13.115,19.121,25.127,31.133,37]nonatetraconta-1(43),3(49),4,6,9(48),10,12,15(47),16,18,21(46),22,24,27,29,31(45),33,35,37(44),39,41-henicosaene;methanol;tris(trifluoromethanesulfonate);chloride?

The IUPAC name of tetrasilver;2,8,14,20,26,32,38-heptamethyl-2,8,14,20,26,32,38,43,44,45,46,47,48,49-tetradecazaoctacyclo[37.3.1.13,7.19,13.115,19.121,25.127,31.133,37]nonatetraconta-1(43),3(49),4,6,9(48),10,12,15(47),16,18,21(46),22,24,27,29,31(45),33,35,37(44),39,41-henicosaene;methanol;tris(trifluoromethanesulfonate);chloride (CID 139050241) is tetrasilver;2,8,14,20,26,32,38-heptamethyl-2,8,14,20,26,32,38,43,44,45,46,47,48,49-tetradecazaoctacyclo[37.3.1.13,7.19,13.115,19.121,25.127,31.133,37]nonatetraconta-1(43),3(49),4,6,9(48),10,12,15(47),16,18,21(46),22,24,27,29,31(45),33,35,37(44),39,41-henicosaene;methanol;tris(trifluoromethanesulfonate);chloride.

What is the SMILES notation for tetrasilver;2,8,14,20,26,32,38-heptamethyl-2,8,14,20,26,32,38,43,44,45,46,47,48,49-tetradecazaoctacyclo[37.3.1.13,7.19,13.115,19.121,25.127,31.133,37]nonatetraconta-1(43),3(49),4,6,9(48),10,12,15(47),16,18,21(46),22,24,27,29,31(45),33,35,37(44),39,41-henicosaene;methanol;tris(trifluoromethanesulfonate);chloride?

The canonical SMILES for tetrasilver;2,8,14,20,26,32,38-heptamethyl-2,8,14,20,26,32,38,43,44,45,46,47,48,49-tetradecazaoctacyclo[37.3.1.13,7.19,13.115,19.121,25.127,31.133,37]nonatetraconta-1(43),3(49),4,6,9(48),10,12,15(47),16,18,21(46),22,24,27,29,31(45),33,35,37(44),39,41-henicosaene;methanol;tris(trifluoromethanesulfonate);chloride is CN1c2cccc(n2)N(C)c2cccc(n2)N(C)c2cccc(n2)N(C)c2cccc(n2)N(C)c2cccc(n2)N(C)c2cccc(n2)N(C)c2cccc1n2.CO.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+].[Ag+].[Ag+].[Cl-].

What is the InChIKey of tetrasilver;2,8,14,20,26,32,38-heptamethyl-2,8,14,20,26,32,38,43,44,45,46,47,48,49-tetradecazaoctacyclo[37.3.1.13,7.19,13.115,19.121,25.127,31.133,37]nonatetraconta-1(43),3(49),4,6,9(48),10,12,15(47),16,18,21(46),22,24,27,29,31(45),33,35,37(44),39,41-henicosaene;methanol;tris(trifluoromethanesulfonate);chloride?

The InChIKey is LARZECPFJMCWJC-UHFFFAOYSA-J. The full InChI is InChI=1S/C42H42N14.3CHF3O3S.CH4O.4Ag.ClH/c1-50-29-15-8-17-31(43-29)51(2)33-19-10-21-35(45-33)53(4)37-23-12-25-39(47-37)55(6)41-27-14-28-42(49-41)56(7)40-26-13-24-38(48-40)54(5)36-22-11-20-34(46-36)52(3)32-18-9-16-30(50)44-32;3*2-1(3,4)8(5,6)7;1-2;;;;;/h8-28H,1-7H3;3*(H,5,6,7);2H,1H3;;;;;1H/q;;;;;4*+1;/p-4.

What are the key properties of tetrasilver;2,8,14,20,26,32,38-heptamethyl-2,8,14,20,26,32,38,43,44,45,46,47,48,49-tetradecazaoctacyclo[37.3.1.13,7.19,13.115,19.121,25.127,31.133,37]nonatetraconta-1(43),3(49),4,6,9(48),10,12,15(47),16,18,21(46),22,24,27,29,31(45),33,35,37(44),39,41-henicosaene;methanol;tris(trifluoromethanesulfonate);chloride?

tetrasilver;2,8,14,20,26,32,38-heptamethyl-2,8,14,20,26,32,38,43,44,45,46,47,48,49-tetradecazaoctacyclo[37.3.1.13,7.19,13.115,19.121,25.127,31.133,37]nonatetraconta-1(43),3(49),4,6,9(48),10,12,15(47),16,18,21(46),22,24,27,29,31(45),33,35,37(44),39,41-henicosaene;methanol;tris(trifluoromethanesulfonate);chloride has a molecular weight of 1689.07 g/mol, XLogP of 4.90, 0 rotatable bonds, 1 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for tetrasilver;2,8,14,20,26,32,38-heptamethyl-2,8,14,20,26,32,38,43,44,45,46,47,48,49-tetradecazaoctacyclo[37.3.1.13,7.19,13.115,19.121,25.127,31.133,37]nonatetraconta-1(43),3(49),4,6,9(48),10,12,15(47),16,18,21(46),22,24,27,29,31(45),33,35,37(44),39,41-henicosaene;methanol;tris(trifluoromethanesulfonate);chloride is sourced from PubChem (CID 139050241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).