tetrasilver;tetrakis((E)-1-(1-methylimidazol-2-yl)-N-[(E)-(1-methylimidazol-2-yl)methylideneamino]methanimine);tetrakis(trifluoromethanesulfonate)

C44H48Ag4F12N24O12S4 — CID 139045407

IUPACtetrasilver;tetrakis((E)-1-(1-methylimidazol-2-yl)-N-[(E)-(1-methylimidazol-2-yl)methylideneamino]methanimine);tetrakis(trifluoromethanesulfonate)
SMILESCn1ccnc1/C=N/N=C/c1nccn1C.Cn1ccnc1/C=N/N=C/c1nccn1C.Cn1ccnc1/C=N/N=C/c1nccn1C.Cn1ccnc1/C=N/N=C/c1nccn1C.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+]
InChIInChI=1S/4C10H12N6.4CHF3O3S.4Ag/c4*1-15-5-3-11-9(15)7-13-14-8-10-12-4-6-16(10)2;4*2-1(3,4)8(5,6)7;;;;/h4*3-8H,1-2H3;4*(H,5,6,7);;;;/q;;;;;;;;4*+1/p-4/b4*13-7+,14-8+;;;;;;;;
InChIKeyNUTXBIOXDWXNGZ-JTKSUGOJSA-J
MW1892.74 g/mol
LogP2.62
Rot. Bonds12

About tetrasilver;tetrakis((E)-1-(1-methylimidazol-2-yl)-N-[(E)-(1-methylimidazol-2-yl)methylideneamino]methanimine);tetrakis(trifluoromethanesulfonate)

tetrasilver;tetrakis((E)-1-(1-methylimidazol-2-yl)-N-[(E)-(1-methylimidazol-2-yl)methylideneamino]methanimine);tetrakis(trifluoromethanesulfonate) (PubChem CID 139045407) has the molecular formula C44H48Ag4F12N24O12S4 and a molecular weight of 1892.74 g/mol. Its IUPAC name is tetrasilver;tetrakis((E)-1-(1-methylimidazol-2-yl)-N-[(E)-(1-methylimidazol-2-yl)methylideneamino]methanimine);tetrakis(trifluoromethanesulfonate).

Molecular Properties

Compound Nametetrasilver;tetrakis((E)-1-(1-methylimidazol-2-yl)-N-[(E)-(1-methylimidazol-2-yl)methylideneamino]methanimine);tetrakis(trifluoromethanesulfonate)
PubChem CID139045407
Molecular FormulaC44H48Ag4F12N24O12S4
Molecular Weight1892.74 g/mol
Exact Mass1887.88
IUPAC Nametetrasilver;tetrakis((E)-1-(1-methylimidazol-2-yl)-N-[(E)-(1-methylimidazol-2-yl)methylideneamino]methanimine);tetrakis(trifluoromethanesulfonate)
SMILESCn1ccnc1/C=N/N=C/c1nccn1C.Cn1ccnc1/C=N/N=C/c1nccn1C.Cn1ccnc1/C=N/N=C/c1nccn1C.Cn1ccnc1/C=N/N=C/c1nccn1C.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+]
InChIInChI=1S/4C10H12N6.4CHF3O3S.4Ag/c4*1-15-5-3-11-9(15)7-13-14-8-10-12-4-6-16(10)2;4*2-1(3,4)8(5,6)7;;;;/h4*3-8H,1-2H3;4*(H,5,6,7);;;;/q;;;;;;;;4*+1/p-4/b4*13-7+,14-8+;;;;;;;;
InChIKeyNUTXBIOXDWXNGZ-JTKSUGOJSA-J
XLogP2.62
TPSA470.24 Ų
H-Bond Donors
H-Bond Acceptors36
Rotatable Bonds12
Heavy Atoms100
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001892.74
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tetrasilver;tetrakis((E)-1-(1-methylimidazol-2-yl)-N-[(E)-(1-methylimidazol-2-yl)methylideneamino]methanimine);tetrakis(trifluoromethanesulfonate)?
The IUPAC name of tetrasilver;tetrakis((E)-1-(1-methylimidazol-2-yl)-N-[(E)-(1-methylimidazol-2-yl)methylideneamino]methanimine);tetrakis(trifluoromethanesulfonate) (CID 139045407) is tetrasilver;tetrakis((E)-1-(1-methylimidazol-2-yl)-N-[(E)-(1-methylimidazol-2-yl)methylideneamino]methanimine);tetrakis(trifluoromethanesulfonate).
What is the SMILES notation for tetrasilver;tetrakis((E)-1-(1-methylimidazol-2-yl)-N-[(E)-(1-methylimidazol-2-yl)methylideneamino]methanimine);tetrakis(trifluoromethanesulfonate)?
The canonical SMILES for tetrasilver;tetrakis((E)-1-(1-methylimidazol-2-yl)-N-[(E)-(1-methylimidazol-2-yl)methylideneamino]methanimine);tetrakis(trifluoromethanesulfonate) is Cn1ccnc1/C=N/N=C/c1nccn1C.Cn1ccnc1/C=N/N=C/c1nccn1C.Cn1ccnc1/C=N/N=C/c1nccn1C.Cn1ccnc1/C=N/N=C/c1nccn1C.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+].
What is the InChIKey of tetrasilver;tetrakis((E)-1-(1-methylimidazol-2-yl)-N-[(E)-(1-methylimidazol-2-yl)methylideneamino]methanimine);tetrakis(trifluoromethanesulfonate)?
The InChIKey is NUTXBIOXDWXNGZ-JTKSUGOJSA-J. The full InChI is InChI=1S/4C10H12N6.4CHF3O3S.4Ag/c4*1-15-5-3-11-9(15)7-13-14-8-10-12-4-6-16(10)2;4*2-1(3,4)8(5,6)7;;;;/h4*3-8H,1-2H3;4*(H,5,6,7);;;;/q;;;;;;;;4*+1/p-4/b4*13-7+,14-8+;;;;;;;;.
What are the key properties of tetrasilver;tetrakis((E)-1-(1-methylimidazol-2-yl)-N-[(E)-(1-methylimidazol-2-yl)methylideneamino]methanimine);tetrakis(trifluoromethanesulfonate)?
tetrasilver;tetrakis((E)-1-(1-methylimidazol-2-yl)-N-[(E)-(1-methylimidazol-2-yl)methylideneamino]methanimine);tetrakis(trifluoromethanesulfonate) has a molecular weight of 1892.74 g/mol, XLogP of 2.62, 12 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for tetrasilver;tetrakis((E)-1-(1-methylimidazol-2-yl)-N-[(E)-(1-methylimidazol-2-yl)methylideneamino]methanimine);tetrakis(trifluoromethanesulfonate) is sourced from PubChem (CID 139045407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).