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

C42H32F6Mo2N12O6S2 — CID 139141034

IUPACtetrakis(dipyridin-2-ylazanide);bis(molybdenum(3+));bis(trifluoromethanesulfonate)
SMILESO=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Mo+3].[Mo+3].c1ccc([N-]c2ccccn2)nc1.c1ccc([N-]c2ccccn2)nc1.c1ccc([N-]c2ccccn2)nc1.c1ccc([N-]c2ccccn2)nc1
InChIInChI=1S/4C10H8N3.2CHF3O3S.2Mo/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;;;2*+3/p-2
InChIKeyONTXRUJPYWNNIS-UHFFFAOYSA-L
MW1170.80 g/mol
LogP11.35
Rot. Bonds8

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

tetrakis(dipyridin-2-ylazanide);bis(molybdenum(3+));bis(trifluoromethanesulfonate) (PubChem CID 139141034) has the molecular formula C42H32F6Mo2N12O6S2 and a molecular weight of 1170.80 g/mol. Its IUPAC name is tetrakis(dipyridin-2-ylazanide);bis(molybdenum(3+));bis(trifluoromethanesulfonate).

Molecular Properties

Compound Nametetrakis(dipyridin-2-ylazanide);bis(molybdenum(3+));bis(trifluoromethanesulfonate)
PubChem CID139141034
Molecular FormulaC42H32F6Mo2N12O6S2
Molecular Weight1170.80 g/mol
Exact Mass1174.00
IUPAC Nametetrakis(dipyridin-2-ylazanide);bis(molybdenum(3+));bis(trifluoromethanesulfonate)
SMILESO=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Mo+3].[Mo+3].c1ccc([N-]c2ccccn2)nc1.c1ccc([N-]c2ccccn2)nc1.c1ccc([N-]c2ccccn2)nc1.c1ccc([N-]c2ccccn2)nc1
InChIInChI=1S/4C10H8N3.2CHF3O3S.2Mo/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;;;2*+3/p-2
InChIKeyONTXRUJPYWNNIS-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 ≤ 5001170.80
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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Related Compounds

Bis(chromium(3+));tetrakis(dipyridin-2-ylazanide);bis(trifluoromethanesulfonate)
CID 139141033
MoW(dpa)4(OTf)2
CID 139141035
Acetonitrile;tetrakis(dipyridin-2-ylazanide);ethoxyethane;molybdenum(4+);oxygen(2-);tetraphenylboranuide;trifluoromethanesulfonate;tungsten
CID 139141036
Tetrakis(cobalt(2+));cobalt(3+);tetrakis(pyridin-2-yl-(6-pyridin-2-ylazanidyl-2-pyridinyl)azanide);tris(trifluoromethanesulfonate)
CID 139154587
Dichloromethane;tetrakis(dipyridin-2-ylazanide);oxygen(2-);tris(trifluoromethanesulfonate);tungsten
CID 139186252
Dichloromethane;iron(2+);bis(trifluoromethanesulfonate);bis(tris[methyl(pyridin-2-yl)amino]phosphanium)
CID 168337945
MoW(dpa)4(OTf)
CID 168338072
Tetrakis(dipyridin-2-ylazanide);bis(rhodium(2+))
CID 168343716

Frequently Asked Questions

What is the IUPAC name of tetrakis(dipyridin-2-ylazanide);bis(molybdenum(3+));bis(trifluoromethanesulfonate)?
The IUPAC name of tetrakis(dipyridin-2-ylazanide);bis(molybdenum(3+));bis(trifluoromethanesulfonate) (CID 139141034) is tetrakis(dipyridin-2-ylazanide);bis(molybdenum(3+));bis(trifluoromethanesulfonate).
What is the SMILES notation for tetrakis(dipyridin-2-ylazanide);bis(molybdenum(3+));bis(trifluoromethanesulfonate)?
The canonical SMILES for tetrakis(dipyridin-2-ylazanide);bis(molybdenum(3+));bis(trifluoromethanesulfonate) is O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Mo+3].[Mo+3].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);bis(molybdenum(3+));bis(trifluoromethanesulfonate)?
The InChIKey is ONTXRUJPYWNNIS-UHFFFAOYSA-L. The full InChI is InChI=1S/4C10H8N3.2CHF3O3S.2Mo/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;;;2*+3/p-2.
What are the key properties of tetrakis(dipyridin-2-ylazanide);bis(molybdenum(3+));bis(trifluoromethanesulfonate)?
tetrakis(dipyridin-2-ylazanide);bis(molybdenum(3+));bis(trifluoromethanesulfonate) has a molecular weight of 1170.80 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);bis(molybdenum(3+));bis(trifluoromethanesulfonate) is sourced from PubChem (CID 139141034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).