5-(4-chlorophenyl)-1-(4-methylphenyl)-3-(trifluoromethyl)-4H-pyrazol-1-ium;3-(3,4-difluorophenyl)-4-(4-methylphenyl)-2,5-dihydrofuran;3-(3-fluorophenyl)-5,5-dimethyl-4-(4-methylphenyl)furan-2-one;1-[3-(4-fluorophenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-8-yl]ethanone;3-(4-methylphenyl)-4-phenyl-2H-furan-5-one;6-(4-methylphenyl)-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole

C109H88ClF7N7O6S+ — CID 160963140

IUPAC5-(4-chlorophenyl)-1-(4-methylphenyl)-3-(trifluoromethyl)-4H-pyrazol-1-ium;3-(3,4-difluorophenyl)-4-(4-methylphenyl)-2,5-dihydrofuran;3-(3-fluorophenyl)-5,5-dimethyl-4-(4-methylphenyl)furan-2-one;1-[3-(4-fluorophenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-8-yl]ethanone;3-(4-methylphenyl)-4-phenyl-2H-furan-5-one;6-(4-methylphenyl)-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole
SMILESCC(=O)c1cccn2c(-c3ccc(F)cc3)c(-c3ccc(C)cc3)nc12.Cc1ccc(-c2sc3nncn3c2-c2ccccc2)cc1.Cc1ccc(C2=C(c3ccc(F)c(F)c3)COC2)cc1.Cc1ccc(C2=C(c3cccc(F)c3)C(=O)OC2(C)C)cc1.Cc1ccc(C2=C(c3ccccc3)C(=O)OC2)cc1.Cc1ccc([N+]2=C(c3ccc(Cl)cc3)CC(C(F)(F)F)=N2)cc1
InChIInChI=1S/C22H17FN2O.C19H17FO2.C17H13ClF3N2.C17H14F2O.C17H13N3S.C17H14O2/c1-14-5-7-16(8-6-14)20-21(17-9-11-18(23)12-10-17)25-13-3-4-19(15(2)26)22(25)24-20;1-12-7-9-13(10-8-12)17-16(18(21)22-19(17,2)3)14-5-4-6-15(20)11-14;1-11-2-8-14(9-3-11)23-15(10-16(22-23)17(19,20)21)12-4-6-13(18)7-5-12;1-11-2-4-12(5-3-11)14-9-20-10-15(14)13-6-7-16(18)17(19)8-13;1-12-7-9-14(10-8-12)16-15(13-5-3-2-4-6-13)20-11-18-19-17(20)21-16;1-12-7-9-13(10-8-12)15-11-19-17(18)16(15)14-5-3-2-4-6-14/h3-13H,1-2H3;4-11H,1-3H3;2-9H,10H2,1H3;2-8H,9-10H2,1H3;2-11H,1H3;2-10H,11H2,1H3/q;;+1;;;
InChIKeyQPKAHLNMRRIBRQ-UHFFFAOYSA-N
MW1792.45 g/mol
LogP26.91
Rot. Bonds13

About 5-(4-chlorophenyl)-1-(4-methylphenyl)-3-(trifluoromethyl)-4H-pyrazol-1-ium;3-(3,4-difluorophenyl)-4-(4-methylphenyl)-2,5-dihydrofuran;3-(3-fluorophenyl)-5,5-dimethyl-4-(4-methylphenyl)furan-2-one;1-[3-(4-fluorophenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-8-yl]ethanone;3-(4-methylphenyl)-4-phenyl-2H-furan-5-one;6-(4-methylphenyl)-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole

5-(4-chlorophenyl)-1-(4-methylphenyl)-3-(trifluoromethyl)-4H-pyrazol-1-ium;3-(3,4-difluorophenyl)-4-(4-methylphenyl)-2,5-dihydrofuran;3-(3-fluorophenyl)-5,5-dimethyl-4-(4-methylphenyl)furan-2-one;1-[3-(4-fluorophenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-8-yl]ethanone;3-(4-methylphenyl)-4-phenyl-2H-furan-5-one;6-(4-methylphenyl)-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole (PubChem CID 160963140) has the molecular formula C109H88ClF7N7O6S+ and a molecular weight of 1792.45 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-1-(4-methylphenyl)-3-(trifluoromethyl)-4H-pyrazol-1-ium;3-(3,4-difluorophenyl)-4-(4-methylphenyl)-2,5-dihydrofuran;3-(3-fluorophenyl)-5,5-dimethyl-4-(4-methylphenyl)furan-2-one;1-[3-(4-fluorophenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-8-yl]ethanone;3-(4-methylphenyl)-4-phenyl-2H-furan-5-one;6-(4-methylphenyl)-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole.

Molecular Properties

Compound Name5-(4-chlorophenyl)-1-(4-methylphenyl)-3-(trifluoromethyl)-4H-pyrazol-1-ium;3-(3,4-difluorophenyl)-4-(4-methylphenyl)-2,5-dihydrofuran;3-(3-fluorophenyl)-5,5-dimethyl-4-(4-methylphenyl)furan-2-one;1-[3-(4-fluorophenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-8-yl]ethanone;3-(4-methylphenyl)-4-phenyl-2H-furan-5-one;6-(4-methylphenyl)-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole
PubChem CID160963140
Molecular FormulaC109H88ClF7N7O6S+
Molecular Weight1792.45 g/mol
Exact Mass1790.61
IUPAC Name5-(4-chlorophenyl)-1-(4-methylphenyl)-3-(trifluoromethyl)-4H-pyrazol-1-ium;3-(3,4-difluorophenyl)-4-(4-methylphenyl)-2,5-dihydrofuran;3-(3-fluorophenyl)-5,5-dimethyl-4-(4-methylphenyl)furan-2-one;1-[3-(4-fluorophenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-8-yl]ethanone;3-(4-methylphenyl)-4-phenyl-2H-furan-5-one;6-(4-methylphenyl)-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole
SMILESCC(=O)c1cccn2c(-c3ccc(F)cc3)c(-c3ccc(C)cc3)nc12.Cc1ccc(-c2sc3nncn3c2-c2ccccc2)cc1.Cc1ccc(C2=C(c3ccc(F)c(F)c3)COC2)cc1.Cc1ccc(C2=C(c3cccc(F)c3)C(=O)OC2(C)C)cc1.Cc1ccc(C2=C(c3ccccc3)C(=O)OC2)cc1.Cc1ccc([N+]2=C(c3ccc(Cl)cc3)CC(C(F)(F)F)=N2)cc1
InChIInChI=1S/C22H17FN2O.C19H17FO2.C17H13ClF3N2.C17H14F2O.C17H13N3S.C17H14O2/c1-14-5-7-16(8-6-14)20-21(17-9-11-18(23)12-10-17)25-13-3-4-19(15(2)26)22(25)24-20;1-12-7-9-13(10-8-12)17-16(18(21)22-19(17,2)3)14-5-4-6-15(20)11-14;1-11-2-8-14(9-3-11)23-15(10-16(22-23)17(19,20)21)12-4-6-13(18)7-5-12;1-11-2-4-12(5-3-11)14-9-20-10-15(14)13-6-7-16(18)17(19)8-13;1-12-7-9-14(10-8-12)16-15(13-5-3-2-4-6-13)20-11-18-19-17(20)21-16;1-12-7-9-13(10-8-12)15-11-19-17(18)16(15)14-5-3-2-4-6-14/h3-13H,1-2H3;4-11H,1-3H3;2-9H,10H2,1H3;2-8H,9-10H2,1H3;2-11H,1H3;2-10H,11H2,1H3/q;;+1;;;
InChIKeyQPKAHLNMRRIBRQ-UHFFFAOYSA-N
XLogP26.91
TPSA141.76 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds13
Heavy Atoms131
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001792.45
LogP ≤ 526.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 5-(4-chlorophenyl)-1-(4-methylphenyl)-3-(trifluoromethyl)-4H-pyrazol-1-ium;3-(3,4-difluorophenyl)-4-(4-methylphenyl)-2,5-dihydrofuran;3-(3-fluorophenyl)-5,5-dimethyl-4-(4-methylphenyl)furan-2-one;1-[3-(4-fluorophenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-8-yl]ethanone;3-(4-methylphenyl)-4-phenyl-2H-furan-5-one;6-(4-methylphenyl)-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole with MolForge

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Related Compounds

5-(4-chlorophenyl)-1-(4-methylphenyl)-3-(trifluoromethyl)pyrazole;3-(3,4-difluorophenyl)-4-(4-methylphenyl)-2,5-dihydrofuran;3-(3-fluorophenyl)-5,5-dimethyl-4-(4-methylphenyl)furan-2-one;1-[3-(4-fluorophenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-8-yl]ethanone;3-(4-methylphenyl)-4-phenyl-2H-furan-5-one;6-(4-methylphenyl)-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole
CID 158560867
5-(4-chlorophenyl)-1-(4-methylphenyl)-3-(trifluoromethyl)-4H-pyrazol-1-ium;3-(3,4-difluorophenyl)-4-(4-methylphenyl)-2,5-dihydrofuran;3-(3-fluorophenyl)-5,5-dimethyl-4-(4-methylphenyl)furan-2-one;1-[3-(4-fluorophenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-8-yl]ethanone;5-(4-methylphenyl)-4-phenyl-2,3-dihydrofuran;3-(4-methylphenyl)-4-phenyl-2H-furan-5-one;6-(4-methylphenyl)-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole;sulfur dioxide
CID 160194191
3-(3,4-difluorophenyl)-4-(4-methylphenyl)-2,5-dihydrofuran;3-(3-fluorophenyl)-5,5-dimethyl-4-(4-methylphenyl)furan-2-one;1-[3-(4-fluorophenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-8-yl]ethanone;3-(4-methylphenyl)-4-phenyl-2,5-dihydrofuran;3-(4-methylphenyl)-4-phenyl-2H-furan-5-one;6-(4-methylphenyl)-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole
CID 159791549

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-1-(4-methylphenyl)-3-(trifluoromethyl)-4H-pyrazol-1-ium;3-(3,4-difluorophenyl)-4-(4-methylphenyl)-2,5-dihydrofuran;3-(3-fluorophenyl)-5,5-dimethyl-4-(4-methylphenyl)furan-2-one;1-[3-(4-fluorophenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-8-yl]ethanone;3-(4-methylphenyl)-4-phenyl-2H-furan-5-one;6-(4-methylphenyl)-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole?
The IUPAC name of 5-(4-chlorophenyl)-1-(4-methylphenyl)-3-(trifluoromethyl)-4H-pyrazol-1-ium;3-(3,4-difluorophenyl)-4-(4-methylphenyl)-2,5-dihydrofuran;3-(3-fluorophenyl)-5,5-dimethyl-4-(4-methylphenyl)furan-2-one;1-[3-(4-fluorophenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-8-yl]ethanone;3-(4-methylphenyl)-4-phenyl-2H-furan-5-one;6-(4-methylphenyl)-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole (CID 160963140) is 5-(4-chlorophenyl)-1-(4-methylphenyl)-3-(trifluoromethyl)-4H-pyrazol-1-ium;3-(3,4-difluorophenyl)-4-(4-methylphenyl)-2,5-dihydrofuran;3-(3-fluorophenyl)-5,5-dimethyl-4-(4-methylphenyl)furan-2-one;1-[3-(4-fluorophenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-8-yl]ethanone;3-(4-methylphenyl)-4-phenyl-2H-furan-5-one;6-(4-methylphenyl)-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole.
What is the SMILES notation for 5-(4-chlorophenyl)-1-(4-methylphenyl)-3-(trifluoromethyl)-4H-pyrazol-1-ium;3-(3,4-difluorophenyl)-4-(4-methylphenyl)-2,5-dihydrofuran;3-(3-fluorophenyl)-5,5-dimethyl-4-(4-methylphenyl)furan-2-one;1-[3-(4-fluorophenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-8-yl]ethanone;3-(4-methylphenyl)-4-phenyl-2H-furan-5-one;6-(4-methylphenyl)-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole?
The canonical SMILES for 5-(4-chlorophenyl)-1-(4-methylphenyl)-3-(trifluoromethyl)-4H-pyrazol-1-ium;3-(3,4-difluorophenyl)-4-(4-methylphenyl)-2,5-dihydrofuran;3-(3-fluorophenyl)-5,5-dimethyl-4-(4-methylphenyl)furan-2-one;1-[3-(4-fluorophenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-8-yl]ethanone;3-(4-methylphenyl)-4-phenyl-2H-furan-5-one;6-(4-methylphenyl)-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole is CC(=O)c1cccn2c(-c3ccc(F)cc3)c(-c3ccc(C)cc3)nc12.Cc1ccc(-c2sc3nncn3c2-c2ccccc2)cc1.Cc1ccc(C2=C(c3ccc(F)c(F)c3)COC2)cc1.Cc1ccc(C2=C(c3cccc(F)c3)C(=O)OC2(C)C)cc1.Cc1ccc(C2=C(c3ccccc3)C(=O)OC2)cc1.Cc1ccc([N+]2=C(c3ccc(Cl)cc3)CC(C(F)(F)F)=N2)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-1-(4-methylphenyl)-3-(trifluoromethyl)-4H-pyrazol-1-ium;3-(3,4-difluorophenyl)-4-(4-methylphenyl)-2,5-dihydrofuran;3-(3-fluorophenyl)-5,5-dimethyl-4-(4-methylphenyl)furan-2-one;1-[3-(4-fluorophenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-8-yl]ethanone;3-(4-methylphenyl)-4-phenyl-2H-furan-5-one;6-(4-methylphenyl)-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole?
The InChIKey is QPKAHLNMRRIBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN2O.C19H17FO2.C17H13ClF3N2.C17H14F2O.C17H13N3S.C17H14O2/c1-14-5-7-16(8-6-14)20-21(17-9-11-18(23)12-10-17)25-13-3-4-19(15(2)26)22(25)24-20;1-12-7-9-13(10-8-12)17-16(18(21)22-19(17,2)3)14-5-4-6-15(20)11-14;1-11-2-8-14(9-3-11)23-15(10-16(22-23)17(19,20)21)12-4-6-13(18)7-5-12;1-11-2-4-12(5-3-11)14-9-20-10-15(14)13-6-7-16(18)17(19)8-13;1-12-7-9-14(10-8-12)16-15(13-5-3-2-4-6-13)20-11-18-19-17(20)21-16;1-12-7-9-13(10-8-12)15-11-19-17(18)16(15)14-5-3-2-4-6-14/h3-13H,1-2H3;4-11H,1-3H3;2-9H,10H2,1H3;2-8H,9-10H2,1H3;2-11H,1H3;2-10H,11H2,1H3/q;;+1;;;.
What are the key properties of 5-(4-chlorophenyl)-1-(4-methylphenyl)-3-(trifluoromethyl)-4H-pyrazol-1-ium;3-(3,4-difluorophenyl)-4-(4-methylphenyl)-2,5-dihydrofuran;3-(3-fluorophenyl)-5,5-dimethyl-4-(4-methylphenyl)furan-2-one;1-[3-(4-fluorophenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-8-yl]ethanone;3-(4-methylphenyl)-4-phenyl-2H-furan-5-one;6-(4-methylphenyl)-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole?
5-(4-chlorophenyl)-1-(4-methylphenyl)-3-(trifluoromethyl)-4H-pyrazol-1-ium;3-(3,4-difluorophenyl)-4-(4-methylphenyl)-2,5-dihydrofuran;3-(3-fluorophenyl)-5,5-dimethyl-4-(4-methylphenyl)furan-2-one;1-[3-(4-fluorophenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-8-yl]ethanone;3-(4-methylphenyl)-4-phenyl-2H-furan-5-one;6-(4-methylphenyl)-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole has a molecular weight of 1792.45 g/mol, XLogP of 26.91, 13 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-1-(4-methylphenyl)-3-(trifluoromethyl)-4H-pyrazol-1-ium;3-(3,4-difluorophenyl)-4-(4-methylphenyl)-2,5-dihydrofuran;3-(3-fluorophenyl)-5,5-dimethyl-4-(4-methylphenyl)furan-2-one;1-[3-(4-fluorophenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-8-yl]ethanone;3-(4-methylphenyl)-4-phenyl-2H-furan-5-one;6-(4-methylphenyl)-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole is sourced from PubChem (CID 160963140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).