tetrasilver;2,8,14,20,26,32-hexamethyl-2,8,14,20,26,32,37,38,39,40,41,42-dodecazaheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3(42),4,6,9(41),10,12,15(40),16,18,21,23,25(39),27,29,31(38),33,35-octadecaene;2-methylpropane-2-thiolate;tris(trifluoromethanesulfonate)

C43H45Ag4F9N12O9S4 — CID 139165713

IUPACtetrasilver;2,8,14,20,26,32-hexamethyl-2,8,14,20,26,32,37,38,39,40,41,42-dodecazaheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3(42),4,6,9(41),10,12,15(40),16,18,21,23,25(39),27,29,31(38),33,35-octadecaene;2-methylpropane-2-thiolate;tris(trifluoromethanesulfonate)
SMILESCC(C)(C)[S-].Cn1c2cccc(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+].[Ag+]
InChIInChI=1S/C36H36N12.C4H10S.3CHF3O3S.4Ag/c1-43-25-13-7-15-27(37-25)44(2)29-17-9-19-31(39-29)46(4)33-21-11-23-35(41-33)48(6)36-24-12-22-34(42-36)47(5)32-20-10-18-30(40-32)45(3)28-16-8-14-26(43)38-28;1-4(2,3)5;3*2-1(3,4)8(5,6)7;;;;/h7-24H,1-6H3;5H,1-3H3;3*(H,5,6,7);;;;/q;;;;;4*+1/p-4
InChIKeyARUFKXOWVJZHKF-UHFFFAOYSA-J
MW1604.63 g/mol
LogP7.54
Rot. Bonds

About tetrasilver;2,8,14,20,26,32-hexamethyl-2,8,14,20,26,32,37,38,39,40,41,42-dodecazaheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3(42),4,6,9(41),10,12,15(40),16,18,21,23,25(39),27,29,31(38),33,35-octadecaene;2-methylpropane-2-thiolate;tris(trifluoromethanesulfonate)

tetrasilver;2,8,14,20,26,32-hexamethyl-2,8,14,20,26,32,37,38,39,40,41,42-dodecazaheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3(42),4,6,9(41),10,12,15(40),16,18,21,23,25(39),27,29,31(38),33,35-octadecaene;2-methylpropane-2-thiolate;tris(trifluoromethanesulfonate) (PubChem CID 139165713) has the molecular formula C43H45Ag4F9N12O9S4 and a molecular weight of 1604.63 g/mol. Its IUPAC name is tetrasilver;2,8,14,20,26,32-hexamethyl-2,8,14,20,26,32,37,38,39,40,41,42-dodecazaheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3(42),4,6,9(41),10,12,15(40),16,18,21,23,25(39),27,29,31(38),33,35-octadecaene;2-methylpropane-2-thiolate;tris(trifluoromethanesulfonate).

Molecular Properties

Compound Nametetrasilver;2,8,14,20,26,32-hexamethyl-2,8,14,20,26,32,37,38,39,40,41,42-dodecazaheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3(42),4,6,9(41),10,12,15(40),16,18,21,23,25(39),27,29,31(38),33,35-octadecaene;2-methylpropane-2-thiolate;tris(trifluoromethanesulfonate)
PubChem CID139165713
Molecular FormulaC43H45Ag4F9N12O9S4
Molecular Weight1604.63 g/mol
Exact Mass1599.84
IUPAC Nametetrasilver;2,8,14,20,26,32-hexamethyl-2,8,14,20,26,32,37,38,39,40,41,42-dodecazaheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3(42),4,6,9(41),10,12,15(40),16,18,21,23,25(39),27,29,31(38),33,35-octadecaene;2-methylpropane-2-thiolate;tris(trifluoromethanesulfonate)
SMILESCC(C)(C)[S-].Cn1c2cccc(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+].[Ag+]
InChIInChI=1S/C36H36N12.C4H10S.3CHF3O3S.4Ag/c1-43-25-13-7-15-27(37-25)44(2)29-17-9-19-31(39-29)46(4)33-21-11-23-35(41-33)48(6)36-24-12-22-34(42-36)47(5)32-20-10-18-30(40-32)45(3)28-16-8-14-26(43)38-28;1-4(2,3)5;3*2-1(3,4)8(5,6)7;;;;/h7-24H,1-6H3;5H,1-3H3;3*(H,5,6,7);;;;/q;;;;;4*+1/p-4
InChIKeyARUFKXOWVJZHKF-UHFFFAOYSA-J
XLogP7.54
TPSA278.52 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds
Heavy Atoms81
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001604.63
LogP ≤ 57.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Analyze tetrasilver;2,8,14,20,26,32-hexamethyl-2,8,14,20,26,32,37,38,39,40,41,42-dodecazaheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3(42),4,6,9(41),10,12,15(40),16,18,21,23,25(39),27,29,31(38),33,35-octadecaene;2-methylpropane-2-thiolate;tris(trifluoromethanesulfonate) with MolForge

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Related Compounds

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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
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CID 172908050

Frequently Asked Questions

What is the IUPAC name of tetrasilver;2,8,14,20,26,32-hexamethyl-2,8,14,20,26,32,37,38,39,40,41,42-dodecazaheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3(42),4,6,9(41),10,12,15(40),16,18,21,23,25(39),27,29,31(38),33,35-octadecaene;2-methylpropane-2-thiolate;tris(trifluoromethanesulfonate)?
The IUPAC name of tetrasilver;2,8,14,20,26,32-hexamethyl-2,8,14,20,26,32,37,38,39,40,41,42-dodecazaheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3(42),4,6,9(41),10,12,15(40),16,18,21,23,25(39),27,29,31(38),33,35-octadecaene;2-methylpropane-2-thiolate;tris(trifluoromethanesulfonate) (CID 139165713) is tetrasilver;2,8,14,20,26,32-hexamethyl-2,8,14,20,26,32,37,38,39,40,41,42-dodecazaheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3(42),4,6,9(41),10,12,15(40),16,18,21,23,25(39),27,29,31(38),33,35-octadecaene;2-methylpropane-2-thiolate;tris(trifluoromethanesulfonate).
What is the SMILES notation for tetrasilver;2,8,14,20,26,32-hexamethyl-2,8,14,20,26,32,37,38,39,40,41,42-dodecazaheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3(42),4,6,9(41),10,12,15(40),16,18,21,23,25(39),27,29,31(38),33,35-octadecaene;2-methylpropane-2-thiolate;tris(trifluoromethanesulfonate)?
The canonical SMILES for tetrasilver;2,8,14,20,26,32-hexamethyl-2,8,14,20,26,32,37,38,39,40,41,42-dodecazaheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3(42),4,6,9(41),10,12,15(40),16,18,21,23,25(39),27,29,31(38),33,35-octadecaene;2-methylpropane-2-thiolate;tris(trifluoromethanesulfonate) is CC(C)(C)[S-].Cn1c2cccc(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+].[Ag+].
What is the InChIKey of tetrasilver;2,8,14,20,26,32-hexamethyl-2,8,14,20,26,32,37,38,39,40,41,42-dodecazaheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3(42),4,6,9(41),10,12,15(40),16,18,21,23,25(39),27,29,31(38),33,35-octadecaene;2-methylpropane-2-thiolate;tris(trifluoromethanesulfonate)?
The InChIKey is ARUFKXOWVJZHKF-UHFFFAOYSA-J. The full InChI is InChI=1S/C36H36N12.C4H10S.3CHF3O3S.4Ag/c1-43-25-13-7-15-27(37-25)44(2)29-17-9-19-31(39-29)46(4)33-21-11-23-35(41-33)48(6)36-24-12-22-34(42-36)47(5)32-20-10-18-30(40-32)45(3)28-16-8-14-26(43)38-28;1-4(2,3)5;3*2-1(3,4)8(5,6)7;;;;/h7-24H,1-6H3;5H,1-3H3;3*(H,5,6,7);;;;/q;;;;;4*+1/p-4.
What are the key properties of tetrasilver;2,8,14,20,26,32-hexamethyl-2,8,14,20,26,32,37,38,39,40,41,42-dodecazaheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3(42),4,6,9(41),10,12,15(40),16,18,21,23,25(39),27,29,31(38),33,35-octadecaene;2-methylpropane-2-thiolate;tris(trifluoromethanesulfonate)?
tetrasilver;2,8,14,20,26,32-hexamethyl-2,8,14,20,26,32,37,38,39,40,41,42-dodecazaheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3(42),4,6,9(41),10,12,15(40),16,18,21,23,25(39),27,29,31(38),33,35-octadecaene;2-methylpropane-2-thiolate;tris(trifluoromethanesulfonate) has a molecular weight of 1604.63 g/mol, XLogP of 7.54, 0 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for tetrasilver;2,8,14,20,26,32-hexamethyl-2,8,14,20,26,32,37,38,39,40,41,42-dodecazaheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3(42),4,6,9(41),10,12,15(40),16,18,21,23,25(39),27,29,31(38),33,35-octadecaene;2-methylpropane-2-thiolate;tris(trifluoromethanesulfonate) is sourced from PubChem (CID 139165713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).