disilver;2,2,4,4,6,6,8,8-octapyridin-2-yloxy-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene;bis(trifluoromethanesulfonate)

C42H32Ag2F6N12O14P4S2 — CID 139197007

IUPACdisilver;2,2,4,4,6,6,8,8-octapyridin-2-yloxy-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene;bis(trifluoromethanesulfonate)
SMILESO=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Ag+].[Ag+].c1ccc(OP2(Oc3ccccn3)=NP(Oc3ccccn3)(Oc3ccccn3)=NP(Oc3ccccn3)(Oc3ccccn3)=NP(Oc3ccccn3)(Oc3ccccn3)=N2)nc1
InChIInChI=1S/C40H32N12O8P4.2CHF3O3S.2Ag/c1-9-25-41-33(17-1)53-61(54-34-18-2-10-26-42-34)49-62(55-35-19-3-11-27-43-35,56-36-20-4-12-28-44-36)51-64(59-39-23-7-15-31-47-39,60-40-24-8-16-32-48-40)52-63(50-61,57-37-21-5-13-29-45-37)58-38-22-6-14-30-46-38;2*2-1(3,4)8(5,6)7;;/h1-32H;2*(H,5,6,7);;/q;;;2*+1/p-2
InChIKeySVLFYNQIBZTVBC-UHFFFAOYSA-L
MW1446.54 g/mol
LogP11.67
Rot. Bonds16

About disilver;2,2,4,4,6,6,8,8-octapyridin-2-yloxy-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene;bis(trifluoromethanesulfonate)

disilver;2,2,4,4,6,6,8,8-octapyridin-2-yloxy-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene;bis(trifluoromethanesulfonate) (PubChem CID 139197007) has the molecular formula C42H32Ag2F6N12O14P4S2 and a molecular weight of 1446.54 g/mol. Its IUPAC name is disilver;2,2,4,4,6,6,8,8-octapyridin-2-yloxy-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene;bis(trifluoromethanesulfonate).

Molecular Properties

Compound Namedisilver;2,2,4,4,6,6,8,8-octapyridin-2-yloxy-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene;bis(trifluoromethanesulfonate)
PubChem CID139197007
Molecular FormulaC42H32Ag2F6N12O14P4S2
Molecular Weight1446.54 g/mol
Exact Mass1443.86
IUPAC Namedisilver;2,2,4,4,6,6,8,8-octapyridin-2-yloxy-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene;bis(trifluoromethanesulfonate)
SMILESO=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Ag+].[Ag+].c1ccc(OP2(Oc3ccccn3)=NP(Oc3ccccn3)(Oc3ccccn3)=NP(Oc3ccccn3)(Oc3ccccn3)=NP(Oc3ccccn3)(Oc3ccccn3)=N2)nc1
InChIInChI=1S/C40H32N12O8P4.2CHF3O3S.2Ag/c1-9-25-41-33(17-1)53-61(54-34-18-2-10-26-42-34)49-62(55-35-19-3-11-27-43-35,56-36-20-4-12-28-44-36)51-64(59-39-23-7-15-31-47-39,60-40-24-8-16-32-48-40)52-63(50-61,57-37-21-5-13-29-45-37)58-38-22-6-14-30-46-38;2*2-1(3,4)8(5,6)7;;/h1-32H;2*(H,5,6,7);;/q;;;2*+1/p-2
InChIKeySVLFYNQIBZTVBC-UHFFFAOYSA-L
XLogP11.67
TPSA340.80 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds16
Heavy Atoms82
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001446.54
LogP ≤ 511.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

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

Analyze disilver;2,2,4,4,6,6,8,8-octapyridin-2-yloxy-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene;bis(trifluoromethanesulfonate) with MolForge

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Frequently Asked Questions

What is the IUPAC name of disilver;2,2,4,4,6,6,8,8-octapyridin-2-yloxy-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene;bis(trifluoromethanesulfonate)?
The IUPAC name of disilver;2,2,4,4,6,6,8,8-octapyridin-2-yloxy-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene;bis(trifluoromethanesulfonate) (CID 139197007) is disilver;2,2,4,4,6,6,8,8-octapyridin-2-yloxy-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene;bis(trifluoromethanesulfonate).
What is the SMILES notation for disilver;2,2,4,4,6,6,8,8-octapyridin-2-yloxy-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene;bis(trifluoromethanesulfonate)?
The canonical SMILES for disilver;2,2,4,4,6,6,8,8-octapyridin-2-yloxy-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene;bis(trifluoromethanesulfonate) is O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Ag+].[Ag+].c1ccc(OP2(Oc3ccccn3)=NP(Oc3ccccn3)(Oc3ccccn3)=NP(Oc3ccccn3)(Oc3ccccn3)=NP(Oc3ccccn3)(Oc3ccccn3)=N2)nc1.
What is the InChIKey of disilver;2,2,4,4,6,6,8,8-octapyridin-2-yloxy-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene;bis(trifluoromethanesulfonate)?
The InChIKey is SVLFYNQIBZTVBC-UHFFFAOYSA-L. The full InChI is InChI=1S/C40H32N12O8P4.2CHF3O3S.2Ag/c1-9-25-41-33(17-1)53-61(54-34-18-2-10-26-42-34)49-62(55-35-19-3-11-27-43-35,56-36-20-4-12-28-44-36)51-64(59-39-23-7-15-31-47-39,60-40-24-8-16-32-48-40)52-63(50-61,57-37-21-5-13-29-45-37)58-38-22-6-14-30-46-38;2*2-1(3,4)8(5,6)7;;/h1-32H;2*(H,5,6,7);;/q;;;2*+1/p-2.
What are the key properties of disilver;2,2,4,4,6,6,8,8-octapyridin-2-yloxy-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene;bis(trifluoromethanesulfonate)?
disilver;2,2,4,4,6,6,8,8-octapyridin-2-yloxy-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene;bis(trifluoromethanesulfonate) has a molecular weight of 1446.54 g/mol, XLogP of 11.67, 16 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for disilver;2,2,4,4,6,6,8,8-octapyridin-2-yloxy-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene;bis(trifluoromethanesulfonate) is sourced from PubChem (CID 139197007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).