tetrakis(N,N-dimethylpyridin-4-amine);bis(gold(3+));tetrakis(pyridine);hexakis(trifluoromethanesulfonate)

C54H60Au2F18N12O18S6 — CID 139123492

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

tetrakis(N,N-dimethylpyridin-4-amine);bis(gold(3+));tetrakis(pyridine);hexakis(trifluoromethanesulfonate) (PubChem CID 139123492) has the molecular formula C54H60Au2F18N12O18S6 and a molecular weight of 2093.44 g/mol. Its IUPAC name is tetrakis(N,N-dimethylpyridin-4-amine);bis(gold(3+));tetrakis(pyridine);hexakis(trifluoromethanesulfonate).

Molecular Properties

• Compound Name: tetrakis(N,N-dimethylpyridin-4-amine);bis(gold(3+));tetrakis(pyridine);hexakis(trifluoromethanesulfonate)
• PubChem CID: 139123492
• Molecular Formula: C54H60Au2F18N12O18S6
• Molecular Weight: 2093.44 g/mol
• Exact Mass: 2092.15
• IUPAC Name: tetrakis(N,N-dimethylpyridin-4-amine);bis(gold(3+));tetrakis(pyridine);hexakis(trifluoromethanesulfonate)
• SMILES: 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.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+3].c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1
• InChI: InChI=1S/4C7H10N2.4C5H5N.6CHF3O3S.2Au/c4*1-9(2)7-3-5-8-6-4-7;4*1-2-4-6-5-3-1;6*2-1(3,4)8(5,6)7;;/h4*3-6H,1-2H3;4*1-5H;6*(H,5,6,7);;/q;;;;;;;;;;;;;;2*+3/p-6
• InChIKey: BAKLIYSADNUZDR-UHFFFAOYSA-H
• XLogP: 9.22
• TPSA: 459.28 Ų
• H-Bond Acceptors: 30
• Rotatable Bonds: 4
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2093.44
LogP ≤ 5	9.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tetrakis(N,N-dimethylpyridin-4-amine);bis(gold(3+));tetrakis(pyridine);hexakis(trifluoromethanesulfonate)?

The IUPAC name of tetrakis(N,N-dimethylpyridin-4-amine);bis(gold(3+));tetrakis(pyridine);hexakis(trifluoromethanesulfonate) (CID 139123492) is tetrakis(N,N-dimethylpyridin-4-amine);bis(gold(3+));tetrakis(pyridine);hexakis(trifluoromethanesulfonate).

What is the SMILES notation for tetrakis(N,N-dimethylpyridin-4-amine);bis(gold(3+));tetrakis(pyridine);hexakis(trifluoromethanesulfonate)?

The canonical SMILES for tetrakis(N,N-dimethylpyridin-4-amine);bis(gold(3+));tetrakis(pyridine);hexakis(trifluoromethanesulfonate) is 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.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+3].c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.

What is the InChIKey of tetrakis(N,N-dimethylpyridin-4-amine);bis(gold(3+));tetrakis(pyridine);hexakis(trifluoromethanesulfonate)?

The InChIKey is BAKLIYSADNUZDR-UHFFFAOYSA-H. The full InChI is InChI=1S/4C7H10N2.4C5H5N.6CHF3O3S.2Au/c4*1-9(2)7-3-5-8-6-4-7;4*1-2-4-6-5-3-1;6*2-1(3,4)8(5,6)7;;/h4*3-6H,1-2H3;4*1-5H;6*(H,5,6,7);;/q;;;;;;;;;;;;;;2*+3/p-6.

What are the key properties of tetrakis(N,N-dimethylpyridin-4-amine);bis(gold(3+));tetrakis(pyridine);hexakis(trifluoromethanesulfonate)?

tetrakis(N,N-dimethylpyridin-4-amine);bis(gold(3+));tetrakis(pyridine);hexakis(trifluoromethanesulfonate) has a molecular weight of 2093.44 g/mol, XLogP of 9.22, 4 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for tetrakis(N,N-dimethylpyridin-4-amine);bis(gold(3+));tetrakis(pyridine);hexakis(trifluoromethanesulfonate) is sourced from PubChem (CID 139123492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).