bis(acetonitrile);tetrakis(N,N-dimethylpyridin-4-amine);gold(3+);tris(trifluoromethanesulfonate)

C35H46AuF9N10O9S3 — CID 139123491

IUPACbis(acetonitrile);tetrakis(N,N-dimethylpyridin-4-amine);gold(3+);tris(trifluoromethanesulfonate)
SMILESCC#N.CC#N.CN(C)c1ccncc1.CN(C)c1ccncc1.CN(C)c1ccncc1.CN(C)c1ccncc1.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]
InChIInChI=1S/4C7H10N2.2C2H3N.3CHF3O3S.Au/c4*1-9(2)7-3-5-8-6-4-7;2*1-2-3;3*2-1(3,4)8(5,6)7;/h4*3-6H,1-2H3;2*1H3;3*(H,5,6,7);/q;;;;;;;;;+3/p-3
InChIKeyPFRIHECCWDUDDI-UHFFFAOYSA-K
MW1214.96 g/mol
LogP5.80
Rot. Bonds4

About bis(acetonitrile);tetrakis(N,N-dimethylpyridin-4-amine);gold(3+);tris(trifluoromethanesulfonate)

bis(acetonitrile);tetrakis(N,N-dimethylpyridin-4-amine);gold(3+);tris(trifluoromethanesulfonate) (PubChem CID 139123491) has the molecular formula C35H46AuF9N10O9S3 and a molecular weight of 1214.96 g/mol. Its IUPAC name is bis(acetonitrile);tetrakis(N,N-dimethylpyridin-4-amine);gold(3+);tris(trifluoromethanesulfonate).

Molecular Properties

Compound Namebis(acetonitrile);tetrakis(N,N-dimethylpyridin-4-amine);gold(3+);tris(trifluoromethanesulfonate)
PubChem CID139123491
Molecular FormulaC35H46AuF9N10O9S3
Molecular Weight1214.96 g/mol
Exact Mass1214.21
IUPAC Namebis(acetonitrile);tetrakis(N,N-dimethylpyridin-4-amine);gold(3+);tris(trifluoromethanesulfonate)
SMILESCC#N.CC#N.CN(C)c1ccncc1.CN(C)c1ccncc1.CN(C)c1ccncc1.CN(C)c1ccncc1.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]
InChIInChI=1S/4C7H10N2.2C2H3N.3CHF3O3S.Au/c4*1-9(2)7-3-5-8-6-4-7;2*1-2-3;3*2-1(3,4)8(5,6)7;/h4*3-6H,1-2H3;2*1H3;3*(H,5,6,7);/q;;;;;;;;;+3/p-3
InChIKeyPFRIHECCWDUDDI-UHFFFAOYSA-K
XLogP5.80
TPSA283.70 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds4
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001214.96
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

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(4-dimethylaminopyridin-1-ium-1-yl)phenyliodane bis(trifluoromethanesulfonate)
CID 15783561
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
Tris-[4-(dimethylamino)pyridinium]-phosphine tris(trifluoromethanesulfonate)
CID 86583131
Bis(palladium);bis(2-pyridin-2-ylpyridine);bis(trifluoromethanesulfonate);dihydrate
CID 135085357
bis(N,N-dimethylpyridin-4-amine);triphenyl-bis(trifluoromethylsulfonyloxy)bismuth
CID 138974231
1,2-Bis(2,2,4,4,5,5-hexakis(2,4,6-trimethylphenyl)-3-methyl-2,4,5-trisila-1,3-distannabicylo[1.1.1]pentan)ethyne
CID 139042611
bis(acetonitrile);1-bis[4-(dimethylamino)pyridin-1-ium-1-yl]arsanyl-N,N-dimethylpyridin-1-ium-4-amine;tris(trifluoromethanesulfonate)
CID 139046317
Calcium;bis(1,3-dipyridin-4-ylurea);methanol;bis(trifluoromethanesulfonate)
CID 139058881
Tetrakis(4-cyanopyridine)palladium(II) bis(trifluoromethanesulfonate)
CID 139079295
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

Frequently Asked Questions

What is the IUPAC name of bis(acetonitrile);tetrakis(N,N-dimethylpyridin-4-amine);gold(3+);tris(trifluoromethanesulfonate)?
The IUPAC name of bis(acetonitrile);tetrakis(N,N-dimethylpyridin-4-amine);gold(3+);tris(trifluoromethanesulfonate) (CID 139123491) is bis(acetonitrile);tetrakis(N,N-dimethylpyridin-4-amine);gold(3+);tris(trifluoromethanesulfonate).
What is the SMILES notation for bis(acetonitrile);tetrakis(N,N-dimethylpyridin-4-amine);gold(3+);tris(trifluoromethanesulfonate)?
The canonical SMILES for bis(acetonitrile);tetrakis(N,N-dimethylpyridin-4-amine);gold(3+);tris(trifluoromethanesulfonate) is CC#N.CC#N.CN(C)c1ccncc1.CN(C)c1ccncc1.CN(C)c1ccncc1.CN(C)c1ccncc1.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].
What is the InChIKey of bis(acetonitrile);tetrakis(N,N-dimethylpyridin-4-amine);gold(3+);tris(trifluoromethanesulfonate)?
The InChIKey is PFRIHECCWDUDDI-UHFFFAOYSA-K. The full InChI is InChI=1S/4C7H10N2.2C2H3N.3CHF3O3S.Au/c4*1-9(2)7-3-5-8-6-4-7;2*1-2-3;3*2-1(3,4)8(5,6)7;/h4*3-6H,1-2H3;2*1H3;3*(H,5,6,7);/q;;;;;;;;;+3/p-3.
What are the key properties of bis(acetonitrile);tetrakis(N,N-dimethylpyridin-4-amine);gold(3+);tris(trifluoromethanesulfonate)?
bis(acetonitrile);tetrakis(N,N-dimethylpyridin-4-amine);gold(3+);tris(trifluoromethanesulfonate) has a molecular weight of 1214.96 g/mol, XLogP of 5.80, 4 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for bis(acetonitrile);tetrakis(N,N-dimethylpyridin-4-amine);gold(3+);tris(trifluoromethanesulfonate) is sourced from PubChem (CID 139123491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).