tetrakis(oxygen(2-));tridecakis(pyridine);thallium(3+);tris(trifluoromethanesulfonate);bis(uranium(4+))

C68H65F9N13O13S3TlU2 — CID 139149368

IUPACtetrakis(oxygen(2-));tridecakis(pyridine);thallium(3+);tris(trifluoromethanesulfonate);bis(uranium(4+))
SMILESO=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[O-2].[O-2].[O-2].[O-2].[Tl+3].[U+4].[U+4].c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1
InChIInChI=1S/13C5H5N.3CHF3O3S.4O.Tl.2U/c13*1-2-4-6-5-3-1;3*2-1(3,4)8(5,6)7;;;;;;;/h13*1-5H;3*(H,5,6,7);;;;;;;/q;;;;;;;;;;;;;;;;4*-2;+3;2*+4/p-3
InChIKeyNGIGJEIKCDMUDJ-UHFFFAOYSA-K
MW2219.97 g/mol
LogP13.36
Rot. Bonds

About tetrakis(oxygen(2-));tridecakis(pyridine);thallium(3+);tris(trifluoromethanesulfonate);bis(uranium(4+))

tetrakis(oxygen(2-));tridecakis(pyridine);thallium(3+);tris(trifluoromethanesulfonate);bis(uranium(4+)) (PubChem CID 139149368) has the molecular formula C68H65F9N13O13S3TlU2 and a molecular weight of 2219.97 g/mol. Its IUPAC name is tetrakis(oxygen(2-));tridecakis(pyridine);thallium(3+);tris(trifluoromethanesulfonate);bis(uranium(4+)).

Molecular Properties

Compound Nametetrakis(oxygen(2-));tridecakis(pyridine);thallium(3+);tris(trifluoromethanesulfonate);bis(uranium(4+))
PubChem CID139149368
Molecular FormulaC68H65F9N13O13S3TlU2
Molecular Weight2219.97 g/mol
Exact Mass2219.46
IUPAC Nametetrakis(oxygen(2-));tridecakis(pyridine);thallium(3+);tris(trifluoromethanesulfonate);bis(uranium(4+))
SMILESO=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[O-2].[O-2].[O-2].[O-2].[Tl+3].[U+4].[U+4].c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1
InChIInChI=1S/13C5H5N.3CHF3O3S.4O.Tl.2U/c13*1-2-4-6-5-3-1;3*2-1(3,4)8(5,6)7;;;;;;;/h13*1-5H;3*(H,5,6,7);;;;;;;/q;;;;;;;;;;;;;;;;4*-2;+3;2*+4/p-3
InChIKeyNGIGJEIKCDMUDJ-UHFFFAOYSA-K
XLogP13.36
TPSA453.17 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds
Heavy Atoms109
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002219.97
LogP ≤ 513.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze tetrakis(oxygen(2-));tridecakis(pyridine);thallium(3+);tris(trifluoromethanesulfonate);bis(uranium(4+)) with MolForge

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Related Compounds

Copper;tetrakis(pyridine);bis(trifluoromethanesulfonate)
CID 139159651
bis(1-N,2-N-dimethyl-1-N,2-N-bis(pyridin-2-ylmethyl)cyclohexane-1,2-diamine);iron(2+);iron(3+);oxygen(2-);bis(trifluoromethanesulfonate);hydroxide
CID 53314875
Bis(palladium);bis(2-pyridin-2-ylpyridine);bis(trifluoromethanesulfonate);dihydrate
CID 135085357
Bis(di-2-pyridylamine-kappa^2^N^2^,N^2'^)silver(I) trifluoromethanesulfonate
CID 139061000
Tetrakis(4-cyanopyridine)palladium(II) bis(trifluoromethanesulfonate)
CID 139079295
Tris(1-oxidopyridin-1-ium);bis(oxygen(2-));bis(trifluoromethanesulfonate);uranium
CID 139123352
bis(acetonitrile);tetrakis(N,N-dimethylpyridin-4-amine);gold(3+);tris(trifluoromethanesulfonate)
CID 139123491
tetrakis(N,N-dimethylpyridin-4-amine);bis(gold(3+));tetrakis(pyridine);hexakis(trifluoromethanesulfonate)
CID 139123492
tetrakis(N,N-dimethylpyridin-4-amine);gold;gold(3+);tetrakis(pyridine-4-carbonitrile);pentakis(trifluoromethanesulfonate)
CID 139123493
bis(acetonitrile);tetrakis(N,N-dimethylpyridin-4-amine);bis(gold(3+));oxygen(2-);bis(pyridine);tetrakis(trifluoromethanesulfonate)
CID 139123494
Bis(1-hexyl-4-pyridin-4-ylpyridin-1-ium);bis(trifluoromethanesulfonate)
CID 139136543
Palladium(2+);tetrakis(pyridine);bis(trifluoromethanesulfonate)
CID 139140724

Frequently Asked Questions

What is the IUPAC name of tetrakis(oxygen(2-));tridecakis(pyridine);thallium(3+);tris(trifluoromethanesulfonate);bis(uranium(4+))?
The IUPAC name of tetrakis(oxygen(2-));tridecakis(pyridine);thallium(3+);tris(trifluoromethanesulfonate);bis(uranium(4+)) (CID 139149368) is tetrakis(oxygen(2-));tridecakis(pyridine);thallium(3+);tris(trifluoromethanesulfonate);bis(uranium(4+)).
What is the SMILES notation for tetrakis(oxygen(2-));tridecakis(pyridine);thallium(3+);tris(trifluoromethanesulfonate);bis(uranium(4+))?
The canonical SMILES for tetrakis(oxygen(2-));tridecakis(pyridine);thallium(3+);tris(trifluoromethanesulfonate);bis(uranium(4+)) is 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-2].[O-2].[O-2].[O-2].[Tl+3].[U+4].[U+4].c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.
What is the InChIKey of tetrakis(oxygen(2-));tridecakis(pyridine);thallium(3+);tris(trifluoromethanesulfonate);bis(uranium(4+))?
The InChIKey is NGIGJEIKCDMUDJ-UHFFFAOYSA-K. The full InChI is InChI=1S/13C5H5N.3CHF3O3S.4O.Tl.2U/c13*1-2-4-6-5-3-1;3*2-1(3,4)8(5,6)7;;;;;;;/h13*1-5H;3*(H,5,6,7);;;;;;;/q;;;;;;;;;;;;;;;;4*-2;+3;2*+4/p-3.
What are the key properties of tetrakis(oxygen(2-));tridecakis(pyridine);thallium(3+);tris(trifluoromethanesulfonate);bis(uranium(4+))?
tetrakis(oxygen(2-));tridecakis(pyridine);thallium(3+);tris(trifluoromethanesulfonate);bis(uranium(4+)) has a molecular weight of 2219.97 g/mol, XLogP of 13.36, 0 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(oxygen(2-));tridecakis(pyridine);thallium(3+);tris(trifluoromethanesulfonate);bis(uranium(4+)) is sourced from PubChem (CID 139149368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).