tetrakis(dipyridin-2-ylazanide);molybdenum(3+);bis(trifluoromethanesulfonate);tungsten

C42H32F6MoN12O6S2W-3 — CID 139141035

IUPACtetrakis(dipyridin-2-ylazanide);molybdenum(3+);bis(trifluoromethanesulfonate);tungsten
SMILESO=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Mo+3].[W].c1ccc([N-]c2ccccn2)nc1.c1ccc([N-]c2ccccn2)nc1.c1ccc([N-]c2ccccn2)nc1.c1ccc([N-]c2ccccn2)nc1
InChIInChI=1S/4C10H8N3.2CHF3O3S.Mo.W/c4*1-3-7-11-9(5-1)13-10-6-2-4-8-12-10;2*2-1(3,4)8(5,6)7;;/h4*1-8H;2*(H,5,6,7);;/q4*-1;;;+3;/p-2
InChIKeyUMOWQANRCGJTKX-UHFFFAOYSA-L
MW1258.70 g/mol
LogP11.35
Rot. Bonds8

About tetrakis(dipyridin-2-ylazanide);molybdenum(3+);bis(trifluoromethanesulfonate);tungsten

tetrakis(dipyridin-2-ylazanide);molybdenum(3+);bis(trifluoromethanesulfonate);tungsten (PubChem CID 139141035) has the molecular formula C42H32F6MoN12O6S2W-3 and a molecular weight of 1258.70 g/mol. Its IUPAC name is tetrakis(dipyridin-2-ylazanide);molybdenum(3+);bis(trifluoromethanesulfonate);tungsten.

Molecular Properties

Compound Nametetrakis(dipyridin-2-ylazanide);molybdenum(3+);bis(trifluoromethanesulfonate);tungsten
PubChem CID139141035
Molecular FormulaC42H32F6MoN12O6S2W-3
Molecular Weight1258.70 g/mol
Exact Mass1260.05
IUPAC Nametetrakis(dipyridin-2-ylazanide);molybdenum(3+);bis(trifluoromethanesulfonate);tungsten
SMILESO=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Mo+3].[W].c1ccc([N-]c2ccccn2)nc1.c1ccc([N-]c2ccccn2)nc1.c1ccc([N-]c2ccccn2)nc1.c1ccc([N-]c2ccccn2)nc1
InChIInChI=1S/4C10H8N3.2CHF3O3S.Mo.W/c4*1-3-7-11-9(5-1)13-10-6-2-4-8-12-10;2*2-1(3,4)8(5,6)7;;/h4*1-8H;2*(H,5,6,7);;/q4*-1;;;+3;/p-2
InChIKeyUMOWQANRCGJTKX-UHFFFAOYSA-L
XLogP11.35
TPSA273.92 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001258.70
LogP ≤ 511.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'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 tetrakis(dipyridin-2-ylazanide);molybdenum(3+);bis(trifluoromethanesulfonate);tungsten?
The IUPAC name of tetrakis(dipyridin-2-ylazanide);molybdenum(3+);bis(trifluoromethanesulfonate);tungsten (CID 139141035) is tetrakis(dipyridin-2-ylazanide);molybdenum(3+);bis(trifluoromethanesulfonate);tungsten.
What is the SMILES notation for tetrakis(dipyridin-2-ylazanide);molybdenum(3+);bis(trifluoromethanesulfonate);tungsten?
The canonical SMILES for tetrakis(dipyridin-2-ylazanide);molybdenum(3+);bis(trifluoromethanesulfonate);tungsten is O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Mo+3].[W].c1ccc([N-]c2ccccn2)nc1.c1ccc([N-]c2ccccn2)nc1.c1ccc([N-]c2ccccn2)nc1.c1ccc([N-]c2ccccn2)nc1.
What is the InChIKey of tetrakis(dipyridin-2-ylazanide);molybdenum(3+);bis(trifluoromethanesulfonate);tungsten?
The InChIKey is UMOWQANRCGJTKX-UHFFFAOYSA-L. The full InChI is InChI=1S/4C10H8N3.2CHF3O3S.Mo.W/c4*1-3-7-11-9(5-1)13-10-6-2-4-8-12-10;2*2-1(3,4)8(5,6)7;;/h4*1-8H;2*(H,5,6,7);;/q4*-1;;;+3;/p-2.
What are the key properties of tetrakis(dipyridin-2-ylazanide);molybdenum(3+);bis(trifluoromethanesulfonate);tungsten?
tetrakis(dipyridin-2-ylazanide);molybdenum(3+);bis(trifluoromethanesulfonate);tungsten has a molecular weight of 1258.70 g/mol, XLogP of 11.35, 8 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(dipyridin-2-ylazanide);molybdenum(3+);bis(trifluoromethanesulfonate);tungsten is sourced from PubChem (CID 139141035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).