trisilver;2,8,14,20,26,32,38,44-octamethyl-2,8,14,20,26,32,38,44,49,50,51,52,53,54,55,56-hexadecazanonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(49),3(56),4,6,9(55),10,12,15(54),16,18,21(53),22,24,27,29,31(52),33,35,37(51),39,41,43(50),45,47-tetracosaene;tris(trifluoromethanesulfonate)

C51H48Ag3F9N16O9S3 — CID 139183347

About trisilver;2,8,14,20,26,32,38,44-octamethyl-2,8,14,20,26,32,38,44,49,50,51,52,53,54,55,56-hexadecazanonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(49),3(56),4,6,9(55),10,12,15(54),16,18,21(53),22,24,27,29,31(52),33,35,37(51),39,41,43(50),45,47-tetracosaene;tris(trifluoromethanesulfonate)

trisilver;2,8,14,20,26,32,38,44-octamethyl-2,8,14,20,26,32,38,44,49,50,51,52,53,54,55,56-hexadecazanonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(49),3(56),4,6,9(55),10,12,15(54),16,18,21(53),22,24,27,29,31(52),33,35,37(51),39,41,43(50),45,47-tetracosaene;tris(trifluoromethanesulfonate) (PubChem CID 139183347) has the molecular formula C51H48Ag3F9N16O9S3 and a molecular weight of 1619.83 g/mol. Its IUPAC name is trisilver;2,8,14,20,26,32,38,44-octamethyl-2,8,14,20,26,32,38,44,49,50,51,52,53,54,55,56-hexadecazanonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(49),3(56),4,6,9(55),10,12,15(54),16,18,21(53),22,24,27,29,31(52),33,35,37(51),39,41,43(50),45,47-tetracosaene;tris(trifluoromethanesulfonate).

Molecular Properties

• Compound Name: trisilver;2,8,14,20,26,32,38,44-octamethyl-2,8,14,20,26,32,38,44,49,50,51,52,53,54,55,56-hexadecazanonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(49),3(56),4,6,9(55),10,12,15(54),16,18,21(53),22,24,27,29,31(52),33,35,37(51),39,41,43(50),45,47-tetracosaene;tris(trifluoromethanesulfonate)
• PubChem CID: 139183347
• Molecular Formula: C51H48Ag3F9N16O9S3
• Molecular Weight: 1619.83 g/mol
• Exact Mass: 1616.00
• IUPAC Name: trisilver;2,8,14,20,26,32,38,44-octamethyl-2,8,14,20,26,32,38,44,49,50,51,52,53,54,55,56-hexadecazanonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(49),3(56),4,6,9(55),10,12,15(54),16,18,21(53),22,24,27,29,31(52),33,35,37(51),39,41,43(50),45,47-tetracosaene;tris(trifluoromethanesulfonate)
• 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)c2cccc(n2)N(C)c2cccc1n2.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+]
• InChI: InChI=1S/C48H48N16.3CHF3O3S.3Ag/c1-57-33-17-9-19-35(49-33)58(2)37-21-11-23-39(51-37)60(4)41-25-13-27-43(53-41)62(6)45-29-15-31-47(55-45)64(8)48-32-16-30-46(56-48)63(7)44-28-14-26-42(54-44)61(5)40-24-12-22-38(52-40)59(3)36-20-10-18-34(57)50-36;3*2-1(3,4)8(5,6)7;;;/h9-32H,1-8H3;3*(H,5,6,7);;;/q;;;;3*+1/p-3
• InChIKey: YWQGIMMGGYBTSJ-UHFFFAOYSA-K
• XLogP: 9.45
• TPSA: 300.64 Ų
• H-Bond Acceptors: 25
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1619.83
LogP ≤ 5	9.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

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 trisilver;2,8,14,20,26,32,38,44-octamethyl-2,8,14,20,26,32,38,44,49,50,51,52,53,54,55,56-hexadecazanonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(49),3(56),4,6,9(55),10,12,15(54),16,18,21(53),22,24,27,29,31(52),33,35,37(51),39,41,43(50),45,47-tetracosaene;tris(trifluoromethanesulfonate)?

The IUPAC name of trisilver;2,8,14,20,26,32,38,44-octamethyl-2,8,14,20,26,32,38,44,49,50,51,52,53,54,55,56-hexadecazanonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(49),3(56),4,6,9(55),10,12,15(54),16,18,21(53),22,24,27,29,31(52),33,35,37(51),39,41,43(50),45,47-tetracosaene;tris(trifluoromethanesulfonate) (CID 139183347) is trisilver;2,8,14,20,26,32,38,44-octamethyl-2,8,14,20,26,32,38,44,49,50,51,52,53,54,55,56-hexadecazanonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(49),3(56),4,6,9(55),10,12,15(54),16,18,21(53),22,24,27,29,31(52),33,35,37(51),39,41,43(50),45,47-tetracosaene;tris(trifluoromethanesulfonate).

What is the SMILES notation for trisilver;2,8,14,20,26,32,38,44-octamethyl-2,8,14,20,26,32,38,44,49,50,51,52,53,54,55,56-hexadecazanonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(49),3(56),4,6,9(55),10,12,15(54),16,18,21(53),22,24,27,29,31(52),33,35,37(51),39,41,43(50),45,47-tetracosaene;tris(trifluoromethanesulfonate)?

The canonical SMILES for trisilver;2,8,14,20,26,32,38,44-octamethyl-2,8,14,20,26,32,38,44,49,50,51,52,53,54,55,56-hexadecazanonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(49),3(56),4,6,9(55),10,12,15(54),16,18,21(53),22,24,27,29,31(52),33,35,37(51),39,41,43(50),45,47-tetracosaene;tris(trifluoromethanesulfonate) 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)c2cccc(n2)N(C)c2cccc1n2.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+].

What is the InChIKey of trisilver;2,8,14,20,26,32,38,44-octamethyl-2,8,14,20,26,32,38,44,49,50,51,52,53,54,55,56-hexadecazanonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(49),3(56),4,6,9(55),10,12,15(54),16,18,21(53),22,24,27,29,31(52),33,35,37(51),39,41,43(50),45,47-tetracosaene;tris(trifluoromethanesulfonate)?

The InChIKey is YWQGIMMGGYBTSJ-UHFFFAOYSA-K. The full InChI is InChI=1S/C48H48N16.3CHF3O3S.3Ag/c1-57-33-17-9-19-35(49-33)58(2)37-21-11-23-39(51-37)60(4)41-25-13-27-43(53-41)62(6)45-29-15-31-47(55-45)64(8)48-32-16-30-46(56-48)63(7)44-28-14-26-42(54-44)61(5)40-24-12-22-38(52-40)59(3)36-20-10-18-34(57)50-36;3*2-1(3,4)8(5,6)7;;;/h9-32H,1-8H3;3*(H,5,6,7);;;/q;;;;3*+1/p-3.

What are the key properties of trisilver;2,8,14,20,26,32,38,44-octamethyl-2,8,14,20,26,32,38,44,49,50,51,52,53,54,55,56-hexadecazanonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(49),3(56),4,6,9(55),10,12,15(54),16,18,21(53),22,24,27,29,31(52),33,35,37(51),39,41,43(50),45,47-tetracosaene;tris(trifluoromethanesulfonate)?

trisilver;2,8,14,20,26,32,38,44-octamethyl-2,8,14,20,26,32,38,44,49,50,51,52,53,54,55,56-hexadecazanonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(49),3(56),4,6,9(55),10,12,15(54),16,18,21(53),22,24,27,29,31(52),33,35,37(51),39,41,43(50),45,47-tetracosaene;tris(trifluoromethanesulfonate) has a molecular weight of 1619.83 g/mol, XLogP of 9.45, 0 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for trisilver;2,8,14,20,26,32,38,44-octamethyl-2,8,14,20,26,32,38,44,49,50,51,52,53,54,55,56-hexadecazanonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(49),3(56),4,6,9(55),10,12,15(54),16,18,21(53),22,24,27,29,31(52),33,35,37(51),39,41,43(50),45,47-tetracosaene;tris(trifluoromethanesulfonate) is sourced from PubChem (CID 139183347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).