disilver;bis(2,6-bis[methoxy(dipyridin-2-yl)methyl]pyridine);methanol;bis(trifluoromethanesulfonate)

C62H58Ag2F6N10O12S2 — CID 139128022

IUPACdisilver;bis(2,6-bis[methoxy(dipyridin-2-yl)methyl]pyridine);methanol;bis(trifluoromethanesulfonate)
SMILESCO.CO.COC(c1ccccn1)(c1ccccn1)c1cccc(C(OC)(c2ccccn2)c2ccccn2)n1.COC(c1ccccn1)(c1ccccn1)c1cccc(C(OC)(c2ccccn2)c2ccccn2)n1.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Ag+].[Ag+]
InChIInChI=1S/2C29H25N5O2.2CHF3O3S.2CH4O.2Ag/c2*1-35-28(22-12-3-7-18-30-22,23-13-4-8-19-31-23)26-16-11-17-27(34-26)29(36-2,24-14-5-9-20-32-24)25-15-6-10-21-33-25;2*2-1(3,4)8(5,6)7;2*1-2;;/h2*3-21H,1-2H3;2*(H,5,6,7);2*2H,1H3;;/q;;;;;;2*+1/p-2
InChIKeyOIWMHAFRXPVBEH-UHFFFAOYSA-L
MW1529.06 g/mol
LogP8.39
Rot. Bonds16

About disilver;bis(2,6-bis[methoxy(dipyridin-2-yl)methyl]pyridine);methanol;bis(trifluoromethanesulfonate)

disilver;bis(2,6-bis[methoxy(dipyridin-2-yl)methyl]pyridine);methanol;bis(trifluoromethanesulfonate) (PubChem CID 139128022) has the molecular formula C62H58Ag2F6N10O12S2 and a molecular weight of 1529.06 g/mol. Its IUPAC name is disilver;bis(2,6-bis[methoxy(dipyridin-2-yl)methyl]pyridine);methanol;bis(trifluoromethanesulfonate).

Molecular Properties

Compound Namedisilver;bis(2,6-bis[methoxy(dipyridin-2-yl)methyl]pyridine);methanol;bis(trifluoromethanesulfonate)
PubChem CID139128022
Molecular FormulaC62H58Ag2F6N10O12S2
Molecular Weight1529.06 g/mol
Exact Mass1526.17
IUPAC Namedisilver;bis(2,6-bis[methoxy(dipyridin-2-yl)methyl]pyridine);methanol;bis(trifluoromethanesulfonate)
SMILESCO.CO.COC(c1ccccn1)(c1ccccn1)c1cccc(C(OC)(c2ccccn2)c2ccccn2)n1.COC(c1ccccn1)(c1ccccn1)c1cccc(C(OC)(c2ccccn2)c2ccccn2)n1.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Ag+].[Ag+]
InChIInChI=1S/2C29H25N5O2.2CHF3O3S.2CH4O.2Ag/c2*1-35-28(22-12-3-7-18-30-22,23-13-4-8-19-31-23)26-16-11-17-27(34-26)29(36-2,24-14-5-9-20-32-24)25-15-6-10-21-33-25;2*2-1(3,4)8(5,6)7;2*1-2;;/h2*3-21H,1-2H3;2*(H,5,6,7);2*2H,1H3;;/q;;;;;;2*+1/p-2
InChIKeyOIWMHAFRXPVBEH-UHFFFAOYSA-L
XLogP8.39
TPSA320.68 Ų
H-Bond Donors2
H-Bond Acceptors22
Rotatable Bonds16
Heavy Atoms94
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001529.06
LogP ≤ 58.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

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Related Compounds

[Co(bpyPY2OH)(MeCN)(OTf)](OTf)
CID 139042188
Acetonitrile;copper(1+);2-[methoxy(dipyridin-2-yl)methyl]pyridine;trifluoromethanesulfonate
CID 139134921
Copper(1+);bis(2-[methoxy(dipyridin-2-yl)methyl]pyridine);propan-2-one;trifluoromethanesulfonate
CID 139134923
Bis(copper(1+));tetrakis(2-methoxy-6-[methoxy(dipyridin-2-yl)methyl]pyridine);bis(trifluoromethanesulfonate)
CID 139134924
Oxidanium;2,6-bis[methoxy(dipyridin-2-yl)methyl]pyridine;iron(2+);bis(trifluoromethanesulfonate)
CID 168337339
Copper(1+);2-methoxy-6-[methoxy(dipyridin-2-yl)methyl]pyridine;trifluoromethanesulfonate;triphenylphosphanium
CID 168337514
Tetrasilver;tetrakis([6-[hydroxy(dipyridin-2-yl)methyl]-2-pyridinyl]-dipyridin-2-ylmethanol);tetranitrate
CID 139128020
Disilver;bis(2,6-bis[methoxy(dipyridin-2-yl)methyl]pyridine);ditetrafluoroborate
CID 139128021
aqua(2,6-(bis(bis-2-pyridyl0methoxymethane)pyridine)cobalt(II) percloro
CID 168350412
2,6-Bis[methoxy(dipyridin-2-yl)methyl]pyridine
CID 22995374
Nickel;bis([[6-[oxonio(dipyridin-2-yl)methyl]-2-pyridinyl]-dipyridin-2-ylmethyl]oxidanium);tetrabromide
CID 139139593

Frequently Asked Questions

What is the IUPAC name of disilver;bis(2,6-bis[methoxy(dipyridin-2-yl)methyl]pyridine);methanol;bis(trifluoromethanesulfonate)?
The IUPAC name of disilver;bis(2,6-bis[methoxy(dipyridin-2-yl)methyl]pyridine);methanol;bis(trifluoromethanesulfonate) (CID 139128022) is disilver;bis(2,6-bis[methoxy(dipyridin-2-yl)methyl]pyridine);methanol;bis(trifluoromethanesulfonate).
What is the SMILES notation for disilver;bis(2,6-bis[methoxy(dipyridin-2-yl)methyl]pyridine);methanol;bis(trifluoromethanesulfonate)?
The canonical SMILES for disilver;bis(2,6-bis[methoxy(dipyridin-2-yl)methyl]pyridine);methanol;bis(trifluoromethanesulfonate) is CO.CO.COC(c1ccccn1)(c1ccccn1)c1cccc(C(OC)(c2ccccn2)c2ccccn2)n1.COC(c1ccccn1)(c1ccccn1)c1cccc(C(OC)(c2ccccn2)c2ccccn2)n1.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Ag+].[Ag+].
What is the InChIKey of disilver;bis(2,6-bis[methoxy(dipyridin-2-yl)methyl]pyridine);methanol;bis(trifluoromethanesulfonate)?
The InChIKey is OIWMHAFRXPVBEH-UHFFFAOYSA-L. The full InChI is InChI=1S/2C29H25N5O2.2CHF3O3S.2CH4O.2Ag/c2*1-35-28(22-12-3-7-18-30-22,23-13-4-8-19-31-23)26-16-11-17-27(34-26)29(36-2,24-14-5-9-20-32-24)25-15-6-10-21-33-25;2*2-1(3,4)8(5,6)7;2*1-2;;/h2*3-21H,1-2H3;2*(H,5,6,7);2*2H,1H3;;/q;;;;;;2*+1/p-2.
What are the key properties of disilver;bis(2,6-bis[methoxy(dipyridin-2-yl)methyl]pyridine);methanol;bis(trifluoromethanesulfonate)?
disilver;bis(2,6-bis[methoxy(dipyridin-2-yl)methyl]pyridine);methanol;bis(trifluoromethanesulfonate) has a molecular weight of 1529.06 g/mol, XLogP of 8.39, 16 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for disilver;bis(2,6-bis[methoxy(dipyridin-2-yl)methyl]pyridine);methanol;bis(trifluoromethanesulfonate) is sourced from PubChem (CID 139128022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).