pentasilver;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;tetrakis(trifluoromethanesulfonate);bromide;pentahydrate

C46H52Ag5BrF12N14O17S4 — CID 139050242

About pentasilver;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;tetrakis(trifluoromethanesulfonate);bromide;pentahydrate

pentasilver;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;tetrakis(trifluoromethanesulfonate);bromide;pentahydrate (PubChem CID 139050242) has the molecular formula C46H52Ag5BrF12N14O17S4 and a molecular weight of 2048.49 g/mol. Its IUPAC name is pentasilver;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;tetrakis(trifluoromethanesulfonate);bromide;pentahydrate.

Molecular Properties

• Compound Name: pentasilver;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;tetrakis(trifluoromethanesulfonate);bromide;pentahydrate
• PubChem CID: 139050242
• Molecular Formula: C46H52Ag5BrF12N14O17S4
• Molecular Weight: 2048.49 g/mol
• Exact Mass: 2041.68
• IUPAC Name: pentasilver;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;tetrakis(trifluoromethanesulfonate);bromide;pentahydrate
• 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.O.O.O.O.O.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+].[Ag+].[Ag+].[Ag+].[Br-]
• InChI: InChI=1S/C42H42N14.4CHF3O3S.5Ag.BrH.5H2O/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;4*2-1(3,4)8(5,6)7;;;;;;;;;;;/h8-28H,1-7H3;4*(H,5,6,7);;;;;;1H;5*1H2/q;;;;;5*+1;;;;;;/p-5
• InChIKey: SJXNXCHSCPIQEV-UHFFFAOYSA-I
• XLogP: 1.21
• TPSA: 499.21 Ų
• H-Bond Acceptors: 26
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2048.49
LogP ≤ 5	1.21
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 pentasilver;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;tetrakis(trifluoromethanesulfonate);bromide;pentahydrate?

The IUPAC name of pentasilver;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;tetrakis(trifluoromethanesulfonate);bromide;pentahydrate (CID 139050242) is pentasilver;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;tetrakis(trifluoromethanesulfonate);bromide;pentahydrate.

What is the SMILES notation for pentasilver;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;tetrakis(trifluoromethanesulfonate);bromide;pentahydrate?

The canonical SMILES for pentasilver;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;tetrakis(trifluoromethanesulfonate);bromide;pentahydrate 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.O.O.O.O.O.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+].[Ag+].[Ag+].[Ag+].[Br-].

What is the InChIKey of pentasilver;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;tetrakis(trifluoromethanesulfonate);bromide;pentahydrate?

The InChIKey is SJXNXCHSCPIQEV-UHFFFAOYSA-I. The full InChI is InChI=1S/C42H42N14.4CHF3O3S.5Ag.BrH.5H2O/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;4*2-1(3,4)8(5,6)7;;;;;;;;;;;/h8-28H,1-7H3;4*(H,5,6,7);;;;;;1H;5*1H2/q;;;;;5*+1;;;;;;/p-5.

What are the key properties of pentasilver;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;tetrakis(trifluoromethanesulfonate);bromide;pentahydrate?

pentasilver;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;tetrakis(trifluoromethanesulfonate);bromide;pentahydrate has a molecular weight of 2048.49 g/mol, XLogP of 1.21, 0 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for pentasilver;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;tetrakis(trifluoromethanesulfonate);bromide;pentahydrate is sourced from PubChem (CID 139050242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).