hexasilver;bis(4,5,10,11,16,17-hexapyridin-2-yl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1,3,5,7,9,11,13,15,17-nonaene);hexakis(trifluoromethanesulfonate);hexahydrate

C90H60Ag6F18N24O24S6 — CID 139089119

IUPAChexasilver;bis(4,5,10,11,16,17-hexapyridin-2-yl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1,3,5,7,9,11,13,15,17-nonaene);hexakis(trifluoromethanesulfonate);hexahydrate
SMILESO.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.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].c1ccc(-c2nc3c4nc(-c5ccccn5)c(-c5ccccn5)nc4c4nc(-c5ccccn5)c(-c5ccccn5)nc4c3nc2-c2ccccn2)nc1.c1ccc(-c2nc3c4nc(-c5ccccn5)c(-c5ccccn5)nc4c4nc(-c5ccccn5)c(-c5ccccn5)nc4c3nc2-c2ccccn2)nc1
InChIInChI=1S/2C42H24N12.6CHF3O3S.6Ag.6H2O/c2*1-7-19-43-25(13-1)31-32(26-14-2-8-20-44-26)50-38-37(49-31)39-41(53-34(28-16-4-10-22-46-28)33(51-39)27-15-3-9-21-45-27)42-40(38)52-35(29-17-5-11-23-47-29)36(54-42)30-18-6-12-24-48-30;6*2-1(3,4)8(5,6)7;;;;;;;;;;;;/h2*1-24H;6*(H,5,6,7);;;;;;;6*1H2/q;;;;;;;;6*+1;;;;;;/p-6
InChIKeyORMTVNSRQCPCFQ-UHFFFAOYSA-H
MW3043.19 g/mol
LogP11.12
Rot. Bonds12

About hexasilver;bis(4,5,10,11,16,17-hexapyridin-2-yl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1,3,5,7,9,11,13,15,17-nonaene);hexakis(trifluoromethanesulfonate);hexahydrate

hexasilver;bis(4,5,10,11,16,17-hexapyridin-2-yl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1,3,5,7,9,11,13,15,17-nonaene);hexakis(trifluoromethanesulfonate);hexahydrate (PubChem CID 139089119) has the molecular formula C90H60Ag6F18N24O24S6 and a molecular weight of 3043.19 g/mol. Its IUPAC name is hexasilver;bis(4,5,10,11,16,17-hexapyridin-2-yl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1,3,5,7,9,11,13,15,17-nonaene);hexakis(trifluoromethanesulfonate);hexahydrate.

Molecular Properties

Compound Namehexasilver;bis(4,5,10,11,16,17-hexapyridin-2-yl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1,3,5,7,9,11,13,15,17-nonaene);hexakis(trifluoromethanesulfonate);hexahydrate
PubChem CID139089119
Molecular FormulaC90H60Ag6F18N24O24S6
Molecular Weight3043.19 g/mol
Exact Mass3035.66
IUPAC Namehexasilver;bis(4,5,10,11,16,17-hexapyridin-2-yl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1,3,5,7,9,11,13,15,17-nonaene);hexakis(trifluoromethanesulfonate);hexahydrate
SMILESO.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.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].c1ccc(-c2nc3c4nc(-c5ccccn5)c(-c5ccccn5)nc4c4nc(-c5ccccn5)c(-c5ccccn5)nc4c3nc2-c2ccccn2)nc1.c1ccc(-c2nc3c4nc(-c5ccccn5)c(-c5ccccn5)nc4c4nc(-c5ccccn5)c(-c5ccccn5)nc4c3nc2-c2ccccn2)nc1
InChIInChI=1S/2C42H24N12.6CHF3O3S.6Ag.6H2O/c2*1-7-19-43-25(13-1)31-32(26-14-2-8-20-44-26)50-38-37(49-31)39-41(53-34(28-16-4-10-22-46-28)33(51-39)27-15-3-9-21-45-27)42-40(38)52-35(29-17-5-11-23-47-29)36(54-42)30-18-6-12-24-48-30;6*2-1(3,4)8(5,6)7;;;;;;;;;;;;/h2*1-24H;6*(H,5,6,7);;;;;;;6*1H2/q;;;;;;;;6*+1;;;;;;/p-6
InChIKeyORMTVNSRQCPCFQ-UHFFFAOYSA-H
XLogP11.12
TPSA841.56 Ų
H-Bond Donors
H-Bond Acceptors42
Rotatable Bonds12
Heavy Atoms168
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003043.19
LogP ≤ 511.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Analyze hexasilver;bis(4,5,10,11,16,17-hexapyridin-2-yl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1,3,5,7,9,11,13,15,17-nonaene);hexakis(trifluoromethanesulfonate);hexahydrate with MolForge

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Related Compounds

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octacopper;bis(acetonitrile);octakis(N-(pyridin-2-ylmethyl)ethanimidate);tetrakis(trifluoromethanesulfonate);tetrahydroxide
CID 139130589
dicopper;bis(N,N-bis(pyridin-2-ylmethyl)-3-(pyridin-2-ylmethylideneamino)aniline);tetrakis(trifluoromethanesulfonate)
CID 139138982
ZINC;benzene;bis(iron(2+));tris(5-[(4-pyridin-2-yltriazol-1-yl)methyl]-2-[5-[(4-pyridin-2-yltriazol-1-yl)methyl]-2-pyridinyl]pyridine);hexakis(trifluoromethanesulfonate)
CID 139142934
Tetracopper;tetrakis(2-pyridin-2-ylpyridine);tetrakis(trifluoromethanesulfonate);tetrahydroxide
CID 139146682
Chromium(3+);bis(1,10-phenanthroline);quinoxalino[2,3-f][1,10]phenanthroline;tris(trifluoromethanesulfonate)
CID 139161598
Chromium(3+);11,12-difluoroquinoxalino[2,3-f][1,10]phenanthroline;bis(1,10-phenanthroline);tris(trifluoromethanesulfonate)
CID 139161599
bis(N,N'-dimethyl-N,N'-di(quinolin-8-yl)propane-1,3-diamine);bis(iron(4+));tetrakis(trifluoromethanesulfonate)
CID 168336993
Octakis(bis(trifluoromethylsulfonyl)azanide);tetrakis(cobalt(2+));dodecakis(1,10-phenanthroline);toluene;1,4-xylene
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Frequently Asked Questions

What is the IUPAC name of hexasilver;bis(4,5,10,11,16,17-hexapyridin-2-yl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1,3,5,7,9,11,13,15,17-nonaene);hexakis(trifluoromethanesulfonate);hexahydrate?
The IUPAC name of hexasilver;bis(4,5,10,11,16,17-hexapyridin-2-yl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1,3,5,7,9,11,13,15,17-nonaene);hexakis(trifluoromethanesulfonate);hexahydrate (CID 139089119) is hexasilver;bis(4,5,10,11,16,17-hexapyridin-2-yl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1,3,5,7,9,11,13,15,17-nonaene);hexakis(trifluoromethanesulfonate);hexahydrate.
What is the SMILES notation for hexasilver;bis(4,5,10,11,16,17-hexapyridin-2-yl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1,3,5,7,9,11,13,15,17-nonaene);hexakis(trifluoromethanesulfonate);hexahydrate?
The canonical SMILES for hexasilver;bis(4,5,10,11,16,17-hexapyridin-2-yl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1,3,5,7,9,11,13,15,17-nonaene);hexakis(trifluoromethanesulfonate);hexahydrate is O.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.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].c1ccc(-c2nc3c4nc(-c5ccccn5)c(-c5ccccn5)nc4c4nc(-c5ccccn5)c(-c5ccccn5)nc4c3nc2-c2ccccn2)nc1.c1ccc(-c2nc3c4nc(-c5ccccn5)c(-c5ccccn5)nc4c4nc(-c5ccccn5)c(-c5ccccn5)nc4c3nc2-c2ccccn2)nc1.
What is the InChIKey of hexasilver;bis(4,5,10,11,16,17-hexapyridin-2-yl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1,3,5,7,9,11,13,15,17-nonaene);hexakis(trifluoromethanesulfonate);hexahydrate?
The InChIKey is ORMTVNSRQCPCFQ-UHFFFAOYSA-H. The full InChI is InChI=1S/2C42H24N12.6CHF3O3S.6Ag.6H2O/c2*1-7-19-43-25(13-1)31-32(26-14-2-8-20-44-26)50-38-37(49-31)39-41(53-34(28-16-4-10-22-46-28)33(51-39)27-15-3-9-21-45-27)42-40(38)52-35(29-17-5-11-23-47-29)36(54-42)30-18-6-12-24-48-30;6*2-1(3,4)8(5,6)7;;;;;;;;;;;;/h2*1-24H;6*(H,5,6,7);;;;;;;6*1H2/q;;;;;;;;6*+1;;;;;;/p-6.
What are the key properties of hexasilver;bis(4,5,10,11,16,17-hexapyridin-2-yl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1,3,5,7,9,11,13,15,17-nonaene);hexakis(trifluoromethanesulfonate);hexahydrate?
hexasilver;bis(4,5,10,11,16,17-hexapyridin-2-yl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1,3,5,7,9,11,13,15,17-nonaene);hexakis(trifluoromethanesulfonate);hexahydrate has a molecular weight of 3043.19 g/mol, XLogP of 11.12, 12 rotatable bonds, 0 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for hexasilver;bis(4,5,10,11,16,17-hexapyridin-2-yl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1,3,5,7,9,11,13,15,17-nonaene);hexakis(trifluoromethanesulfonate);hexahydrate is sourced from PubChem (CID 139089119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).