benzene;bis(N,N-dimethylpyridin-4-amine);bis(2,6-dipyridin-2-ylpyridine);bis(gold(3+));hexakis(trifluoromethanesulfonate)

C56H48Au2F18N10O18S6 — CID 139123495

IUPACbenzene;bis(N,N-dimethylpyridin-4-amine);bis(2,6-dipyridin-2-ylpyridine);bis(gold(3+));hexakis(trifluoromethanesulfonate)
SMILESCN(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].c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccccc1
InChIInChI=1S/2C15H11N3.2C7H10N2.C6H6.6CHF3O3S.2Au/c2*1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;2*1-9(2)7-3-5-8-6-4-7;1-2-4-6-5-3-1;6*2-1(3,4)8(5,6)7;;/h2*1-11H;2*3-6H,1-2H3;1-6H;6*(H,5,6,7);;/q;;;;;;;;;;;2*+3/p-6
InChIKeyXNTQQGRZRLLSNI-UHFFFAOYSA-H
MW2077.35 g/mol
LogP10.70
Rot. Bonds6

About benzene;bis(N,N-dimethylpyridin-4-amine);bis(2,6-dipyridin-2-ylpyridine);bis(gold(3+));hexakis(trifluoromethanesulfonate)

benzene;bis(N,N-dimethylpyridin-4-amine);bis(2,6-dipyridin-2-ylpyridine);bis(gold(3+));hexakis(trifluoromethanesulfonate) (PubChem CID 139123495) has the molecular formula C56H48Au2F18N10O18S6 and a molecular weight of 2077.35 g/mol. Its IUPAC name is benzene;bis(N,N-dimethylpyridin-4-amine);bis(2,6-dipyridin-2-ylpyridine);bis(gold(3+));hexakis(trifluoromethanesulfonate).

Molecular Properties

Compound Namebenzene;bis(N,N-dimethylpyridin-4-amine);bis(2,6-dipyridin-2-ylpyridine);bis(gold(3+));hexakis(trifluoromethanesulfonate)
PubChem CID139123495
Molecular FormulaC56H48Au2F18N10O18S6
Molecular Weight2077.35 g/mol
Exact Mass2076.05
IUPAC Namebenzene;bis(N,N-dimethylpyridin-4-amine);bis(2,6-dipyridin-2-ylpyridine);bis(gold(3+));hexakis(trifluoromethanesulfonate)
SMILESCN(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].c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccccc1
InChIInChI=1S/2C15H11N3.2C7H10N2.C6H6.6CHF3O3S.2Au/c2*1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;2*1-9(2)7-3-5-8-6-4-7;1-2-4-6-5-3-1;6*2-1(3,4)8(5,6)7;;/h2*1-11H;2*3-6H,1-2H3;1-6H;6*(H,5,6,7);;/q;;;;;;;;;;;2*+3/p-6
InChIKeyXNTQQGRZRLLSNI-UHFFFAOYSA-H
XLogP10.70
TPSA452.80 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds6
Heavy Atoms110
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002077.35
LogP ≤ 510.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

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

Analyze benzene;bis(N,N-dimethylpyridin-4-amine);bis(2,6-dipyridin-2-ylpyridine);bis(gold(3+));hexakis(trifluoromethanesulfonate) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tris-(2,2'-bipyridine)cobalt(III)tri(bis(trifluoromethane)sulfonimide)
CID 168434989
tris-(2,2'-bipyridine)cobalt(II)di(bis(trifluoromethane)sulfonimide)
CID 170898766
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 53350282
[(S)-(pmpp)Mn(CF3SO3)2
CID 139040573
Bis{mu~2~-3-[3-(2-pyridyl)pyrazol-1-ylmethyl]pyridine-kappa^3^N^1^:N^2^,N^3^}disilver(I) bis(trifluoromethanesulfonate)
CID 139060498
Di-mu-hydroxo-bis[(2,2'-bipyridine)palladium(II)] trifluoromethanesulfonate
CID 139069164
[mu-1,2-Bis(4-pyridyl)ethane-kappa^2^N:N']bis[(4'-phenyl-2,2':6',2''-terpyridine-kappa^3^N,N',N'')silver(I)] bis(trifluoromethanesulfonate)
CID 139080008
Hexasilver;bis(4,5,10,11,16,17-hexapyridin-2-yl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1,3,5,7,9,11,13,15,17-nonaene);hexakis(trifluoromethanesulfonate);hexahydrate
CID 139089119
Hexakis(acetonitrile);tetrakis(2,6-dipyridin-2-ylpyridine);tetrakis(rhodium);tetrakis(trifluoromethanesulfonate)
CID 139106827
Tetrakis(acetonitrile);bis(2,6-dipyridin-2-ylpyridine);bis(rhodium(2+));tetrakis(trifluoromethanesulfonate)
CID 139106828
Bis(1,3-bis[bis(pyridin-2-ylmethyl)amino]propan-2-olate);chloroform;manganese;manganese(3+);tetrakis(oxygen(2-));bis(trifluoromethanesulfonate);triperchlorate
CID 139119193
tetracopper;tetrakis(N,N-bis[(6-methyl-2-pyridinyl)methyl]-1-pyridin-2-ylmethanamine);ethoxyethane;tetrakis(trifluoromethanesulfonate);tetrahydroxide
CID 139125462

Frequently Asked Questions

What is the IUPAC name of benzene;bis(N,N-dimethylpyridin-4-amine);bis(2,6-dipyridin-2-ylpyridine);bis(gold(3+));hexakis(trifluoromethanesulfonate)?
The IUPAC name of benzene;bis(N,N-dimethylpyridin-4-amine);bis(2,6-dipyridin-2-ylpyridine);bis(gold(3+));hexakis(trifluoromethanesulfonate) (CID 139123495) is benzene;bis(N,N-dimethylpyridin-4-amine);bis(2,6-dipyridin-2-ylpyridine);bis(gold(3+));hexakis(trifluoromethanesulfonate).
What is the SMILES notation for benzene;bis(N,N-dimethylpyridin-4-amine);bis(2,6-dipyridin-2-ylpyridine);bis(gold(3+));hexakis(trifluoromethanesulfonate)?
The canonical SMILES for benzene;bis(N,N-dimethylpyridin-4-amine);bis(2,6-dipyridin-2-ylpyridine);bis(gold(3+));hexakis(trifluoromethanesulfonate) is 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].c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccccc1.
What is the InChIKey of benzene;bis(N,N-dimethylpyridin-4-amine);bis(2,6-dipyridin-2-ylpyridine);bis(gold(3+));hexakis(trifluoromethanesulfonate)?
The InChIKey is XNTQQGRZRLLSNI-UHFFFAOYSA-H. The full InChI is InChI=1S/2C15H11N3.2C7H10N2.C6H6.6CHF3O3S.2Au/c2*1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;2*1-9(2)7-3-5-8-6-4-7;1-2-4-6-5-3-1;6*2-1(3,4)8(5,6)7;;/h2*1-11H;2*3-6H,1-2H3;1-6H;6*(H,5,6,7);;/q;;;;;;;;;;;2*+3/p-6.
What are the key properties of benzene;bis(N,N-dimethylpyridin-4-amine);bis(2,6-dipyridin-2-ylpyridine);bis(gold(3+));hexakis(trifluoromethanesulfonate)?
benzene;bis(N,N-dimethylpyridin-4-amine);bis(2,6-dipyridin-2-ylpyridine);bis(gold(3+));hexakis(trifluoromethanesulfonate) has a molecular weight of 2077.35 g/mol, XLogP of 10.70, 6 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;bis(N,N-dimethylpyridin-4-amine);bis(2,6-dipyridin-2-ylpyridine);bis(gold(3+));hexakis(trifluoromethanesulfonate) is sourced from PubChem (CID 139123495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).