tetrakis(N,N-dimethylpyridin-4-amine);gold;gold(3+);tetrakis(pyridine-4-carbonitrile);pentakis(trifluoromethanesulfonate)

C57H56Au2F15N16O15S5-2 — CID 139123493

IUPACtetrakis(N,N-dimethylpyridin-4-amine);gold;gold(3+);tetrakis(pyridine-4-carbonitrile);pentakis(trifluoromethanesulfonate)
SMILESCN(C)c1ccncc1.CN(C)c1ccncc1.CN(C)c1ccncc1.CN(C)c1ccncc1.N#Cc1ccncc1.N#Cc1ccncc1.N#Cc1ccncc1.N#Cc1ccncc1.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.O=S(=O)([O-])C(F)(F)F.[Au+3].[Au]
InChIInChI=1S/4C7H10N2.4C6H4N2.5CHF3O3S.2Au/c4*1-9(2)7-3-5-8-6-4-7;4*7-5-6-1-3-8-4-2-6;5*2-1(3,4)8(5,6)7;;/h4*3-6H,1-2H3;4*1-4H;5*(H,5,6,7);;/q;;;;;;;;;;;;;;+3/p-5
InChIKeyYVJIDRJRACICSG-UHFFFAOYSA-I
MW2044.41 g/mol
LogP8.66
Rot. Bonds4

About tetrakis(N,N-dimethylpyridin-4-amine);gold;gold(3+);tetrakis(pyridine-4-carbonitrile);pentakis(trifluoromethanesulfonate)

tetrakis(N,N-dimethylpyridin-4-amine);gold;gold(3+);tetrakis(pyridine-4-carbonitrile);pentakis(trifluoromethanesulfonate) (PubChem CID 139123493) has the molecular formula C57H56Au2F15N16O15S5-2 and a molecular weight of 2044.41 g/mol. Its IUPAC name is tetrakis(N,N-dimethylpyridin-4-amine);gold;gold(3+);tetrakis(pyridine-4-carbonitrile);pentakis(trifluoromethanesulfonate).

Molecular Properties

Compound Nametetrakis(N,N-dimethylpyridin-4-amine);gold;gold(3+);tetrakis(pyridine-4-carbonitrile);pentakis(trifluoromethanesulfonate)
PubChem CID139123493
Molecular FormulaC57H56Au2F15N16O15S5-2
Molecular Weight2044.41 g/mol
Exact Mass2043.18
IUPAC Nametetrakis(N,N-dimethylpyridin-4-amine);gold;gold(3+);tetrakis(pyridine-4-carbonitrile);pentakis(trifluoromethanesulfonate)
SMILESCN(C)c1ccncc1.CN(C)c1ccncc1.CN(C)c1ccncc1.CN(C)c1ccncc1.N#Cc1ccncc1.N#Cc1ccncc1.N#Cc1ccncc1.N#Cc1ccncc1.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.O=S(=O)([O-])C(F)(F)F.[Au+3].[Au]
InChIInChI=1S/4C7H10N2.4C6H4N2.5CHF3O3S.2Au/c4*1-9(2)7-3-5-8-6-4-7;4*7-5-6-1-3-8-4-2-6;5*2-1(3,4)8(5,6)7;;/h4*3-6H,1-2H3;4*1-4H;5*(H,5,6,7);;/q;;;;;;;;;;;;;;+3/p-5
InChIKeyYVJIDRJRACICSG-UHFFFAOYSA-I
XLogP8.66
TPSA497.24 Ų
H-Bond Donors
H-Bond Acceptors31
Rotatable Bonds4
Heavy Atoms110
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002044.41
LogP ≤ 58.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1031

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

((CF3PY5Me2)Co(NCCH3))(CF3SO3)2
CID 139042639
bis(acetonitrile);1-bis[4-(dimethylamino)pyridin-1-ium-1-yl]arsanyl-N,N-dimethylpyridin-1-ium-4-amine;tris(trifluoromethanesulfonate)
CID 139046317
Tetrakis(4-cyanopyridine)palladium(II) bis(trifluoromethanesulfonate)
CID 139079295
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
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
Tetrakis(oxygen(2-));tridecakis(pyridine);thallium(3+);tris(trifluoromethanesulfonate);bis(uranium(4+))
CID 139149368
Disilver;tetrakis(pyridine-4-carbonitrile);bis(trifluoromethanesulfonate)
CID 139161027
tris(N,N-dimethyl-1-(trifluoromethylsulfonyl)pyridin-1-ium-4-amine);tris(trifluoromethanesulfonate)
CID 139187537
Disilver;tetrakis(pyridin-4-amine);bis(trifluoromethanesulfonate)
CID 139206127
Tetrakis(4-dimethylaminopyridin-1-ium-1-yl)diphosphoxane tetrakis(trifluoromethanesulfonate)
CID 162786645

Frequently Asked Questions

What is the IUPAC name of tetrakis(N,N-dimethylpyridin-4-amine);gold;gold(3+);tetrakis(pyridine-4-carbonitrile);pentakis(trifluoromethanesulfonate)?
The IUPAC name of tetrakis(N,N-dimethylpyridin-4-amine);gold;gold(3+);tetrakis(pyridine-4-carbonitrile);pentakis(trifluoromethanesulfonate) (CID 139123493) is tetrakis(N,N-dimethylpyridin-4-amine);gold;gold(3+);tetrakis(pyridine-4-carbonitrile);pentakis(trifluoromethanesulfonate).
What is the SMILES notation for tetrakis(N,N-dimethylpyridin-4-amine);gold;gold(3+);tetrakis(pyridine-4-carbonitrile);pentakis(trifluoromethanesulfonate)?
The canonical SMILES for tetrakis(N,N-dimethylpyridin-4-amine);gold;gold(3+);tetrakis(pyridine-4-carbonitrile);pentakis(trifluoromethanesulfonate) is CN(C)c1ccncc1.CN(C)c1ccncc1.CN(C)c1ccncc1.CN(C)c1ccncc1.N#Cc1ccncc1.N#Cc1ccncc1.N#Cc1ccncc1.N#Cc1ccncc1.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.O=S(=O)([O-])C(F)(F)F.[Au+3].[Au].
What is the InChIKey of tetrakis(N,N-dimethylpyridin-4-amine);gold;gold(3+);tetrakis(pyridine-4-carbonitrile);pentakis(trifluoromethanesulfonate)?
The InChIKey is YVJIDRJRACICSG-UHFFFAOYSA-I. The full InChI is InChI=1S/4C7H10N2.4C6H4N2.5CHF3O3S.2Au/c4*1-9(2)7-3-5-8-6-4-7;4*7-5-6-1-3-8-4-2-6;5*2-1(3,4)8(5,6)7;;/h4*3-6H,1-2H3;4*1-4H;5*(H,5,6,7);;/q;;;;;;;;;;;;;;+3/p-5.
What are the key properties of tetrakis(N,N-dimethylpyridin-4-amine);gold;gold(3+);tetrakis(pyridine-4-carbonitrile);pentakis(trifluoromethanesulfonate)?
tetrakis(N,N-dimethylpyridin-4-amine);gold;gold(3+);tetrakis(pyridine-4-carbonitrile);pentakis(trifluoromethanesulfonate) has a molecular weight of 2044.41 g/mol, XLogP of 8.66, 4 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(N,N-dimethylpyridin-4-amine);gold;gold(3+);tetrakis(pyridine-4-carbonitrile);pentakis(trifluoromethanesulfonate) is sourced from PubChem (CID 139123493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).