5-bromo-2-(4-fluorophenyl)-3-(4-methylphenyl)thiophene;4-(3-fluoro-4-methylphenyl)-3-(4-methylphenyl)-2H-furan-5-one;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;methane;2-(4-methylphenyl)-3-phenyl-1-benzofuran;5-(4-methylphenyl)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazole

C115H94BrF4N5O6S2 — CID 160832233

IUPAC5-bromo-2-(4-fluorophenyl)-3-(4-methylphenyl)thiophene;4-(3-fluoro-4-methylphenyl)-3-(4-methylphenyl)-2H-furan-5-one;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;methane;2-(4-methylphenyl)-3-phenyl-1-benzofuran;5-(4-methylphenyl)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazole
SMILESC.CC(=O)c1cccn2c(-c3ccc(F)cc3)c(-c3ccc(C)cc3)nc12.Cc1ccc(-c2cc(Br)sc2-c2ccc(F)cc2)cc1.Cc1ccc(-c2oc3ccccc3c2-c2ccccc2)cc1.Cc1ccc(-c2sc3ncnn3c2-c2ccccc2)cc1.Cc1ccc(C2=C(c3ccc(C)c(F)c3)C(=O)OC2)cc1.Cc1ccc(C2=C(c3cccc(F)c3)C(=O)OC2(C)C)cc1
InChIInChI=1S/C22H17FN2O.C21H16O.C19H17FO2.C18H15FO2.C17H12BrFS.C17H13N3S.CH4/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;1-15-11-13-17(14-12-15)21-20(16-7-3-2-4-8-16)18-9-5-6-10-19(18)22-21;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;1-11-3-6-13(7-4-11)15-10-21-18(20)17(15)14-8-5-12(2)16(19)9-14;1-11-2-4-12(5-3-11)15-10-16(18)20-17(15)13-6-8-14(19)9-7-13;1-12-7-9-14(10-8-12)16-15(13-5-3-2-4-6-13)20-17(21-16)18-11-19-20;/h3-13H,1-2H3;2-14H,1H3;4-11H,1-3H3;3-9H,10H2,1-2H3;2-10H,1H3;2-11H,1H3;1H4
InChIKeySGYGHDCRIVXWCF-UHFFFAOYSA-N
MW1862.08 g/mol
LogP31.05
Rot. Bonds13

About 5-bromo-2-(4-fluorophenyl)-3-(4-methylphenyl)thiophene;4-(3-fluoro-4-methylphenyl)-3-(4-methylphenyl)-2H-furan-5-one;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;methane;2-(4-methylphenyl)-3-phenyl-1-benzofuran;5-(4-methylphenyl)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazole

5-bromo-2-(4-fluorophenyl)-3-(4-methylphenyl)thiophene;4-(3-fluoro-4-methylphenyl)-3-(4-methylphenyl)-2H-furan-5-one;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;methane;2-(4-methylphenyl)-3-phenyl-1-benzofuran;5-(4-methylphenyl)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazole (PubChem CID 160832233) has the molecular formula C115H94BrF4N5O6S2 and a molecular weight of 1862.08 g/mol. Its IUPAC name is 5-bromo-2-(4-fluorophenyl)-3-(4-methylphenyl)thiophene;4-(3-fluoro-4-methylphenyl)-3-(4-methylphenyl)-2H-furan-5-one;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;methane;2-(4-methylphenyl)-3-phenyl-1-benzofuran;5-(4-methylphenyl)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazole.

Molecular Properties

Compound Name5-bromo-2-(4-fluorophenyl)-3-(4-methylphenyl)thiophene;4-(3-fluoro-4-methylphenyl)-3-(4-methylphenyl)-2H-furan-5-one;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;methane;2-(4-methylphenyl)-3-phenyl-1-benzofuran;5-(4-methylphenyl)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazole
PubChem CID160832233
Molecular FormulaC115H94BrF4N5O6S2
Molecular Weight1862.08 g/mol
Exact Mass1859.58
IUPAC Name5-bromo-2-(4-fluorophenyl)-3-(4-methylphenyl)thiophene;4-(3-fluoro-4-methylphenyl)-3-(4-methylphenyl)-2H-furan-5-one;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;methane;2-(4-methylphenyl)-3-phenyl-1-benzofuran;5-(4-methylphenyl)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazole
SMILESC.CC(=O)c1cccn2c(-c3ccc(F)cc3)c(-c3ccc(C)cc3)nc12.Cc1ccc(-c2cc(Br)sc2-c2ccc(F)cc2)cc1.Cc1ccc(-c2oc3ccccc3c2-c2ccccc2)cc1.Cc1ccc(-c2sc3ncnn3c2-c2ccccc2)cc1.Cc1ccc(C2=C(c3ccc(C)c(F)c3)C(=O)OC2)cc1.Cc1ccc(C2=C(c3cccc(F)c3)C(=O)OC2(C)C)cc1
InChIInChI=1S/C22H17FN2O.C21H16O.C19H17FO2.C18H15FO2.C17H12BrFS.C17H13N3S.CH4/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;1-15-11-13-17(14-12-15)21-20(16-7-3-2-4-8-16)18-9-5-6-10-19(18)22-21;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;1-11-3-6-13(7-4-11)15-10-21-18(20)17(15)14-8-5-12(2)16(19)9-14;1-11-2-4-12(5-3-11)15-10-16(18)20-17(15)13-6-8-14(19)9-7-13;1-12-7-9-14(10-8-12)16-15(13-5-3-2-4-6-13)20-17(21-16)18-11-19-20;/h3-13H,1-2H3;2-14H,1H3;4-11H,1-3H3;3-9H,10H2,1-2H3;2-10H,1H3;2-11H,1H3;1H4
InChIKeySGYGHDCRIVXWCF-UHFFFAOYSA-N
XLogP31.05
TPSA130.30 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds13
Heavy Atoms133
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001862.08
LogP ≤ 531.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 5-bromo-2-(4-fluorophenyl)-3-(4-methylphenyl)thiophene;4-(3-fluoro-4-methylphenyl)-3-(4-methylphenyl)-2H-furan-5-one;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;methane;2-(4-methylphenyl)-3-phenyl-1-benzofuran;5-(4-methylphenyl)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazole with MolForge

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Related Compounds

6-fluoro-7-methoxy-1-(4-methylphenyl)-3-(trifluoromethyl)-5H-isothiochromeno[4,3-c]pyrazole;1-[3-(4-fluorophenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-8-yl]ethanone;7-methoxy-1-(4-methylphenyl)-3-(trifluoromethyl)benzo[g]indazole;2-(4-methylphenyl)-3-phenyl-1-benzofuran;5-(4-methylphenyl)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazole
CID 158789828
4-(3,4-difluorophenyl)-3-(4-methylphenyl)-2H-furan-5-one;6-fluoro-7-methoxy-1-(4-methylphenyl)-3-(trifluoromethyl)-5H-isothiochromeno[4,3-c]pyrazole;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;2-(4-methylphenyl)-3-phenyl-1-benzofuran;5-(4-methylphenyl)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazole
CID 159388155
4-(3,4-difluorophenyl)-3-(4-methylphenyl)-2H-furan-5-one;6-fluoro-7-methoxy-1-(4-methylphenyl)-3-(trifluoromethyl)-5H-isothiochromeno[4,3-c]pyrazole;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;7-methoxy-1-(4-methylphenyl)-3-(trifluoromethyl)benzo[g]indazole;2-(4-methylphenyl)-3-phenyl-1-benzofuran;5-(4-methylphenyl)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazole
CID 161013348
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-bromo-2-(4-fluorophenyl)-3-(4-methylphenyl)thiophene;4-(3-fluoro-4-methylphenyl)-3-(4-methylphenyl)-2H-furan-5-one;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;methane;2-(4-methylphenyl)-3-phenyl-1-benzofuran;5-(4-methylphenyl)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazole?
The IUPAC name of 5-bromo-2-(4-fluorophenyl)-3-(4-methylphenyl)thiophene;4-(3-fluoro-4-methylphenyl)-3-(4-methylphenyl)-2H-furan-5-one;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;methane;2-(4-methylphenyl)-3-phenyl-1-benzofuran;5-(4-methylphenyl)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazole (CID 160832233) is 5-bromo-2-(4-fluorophenyl)-3-(4-methylphenyl)thiophene;4-(3-fluoro-4-methylphenyl)-3-(4-methylphenyl)-2H-furan-5-one;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;methane;2-(4-methylphenyl)-3-phenyl-1-benzofuran;5-(4-methylphenyl)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazole.
What is the SMILES notation for 5-bromo-2-(4-fluorophenyl)-3-(4-methylphenyl)thiophene;4-(3-fluoro-4-methylphenyl)-3-(4-methylphenyl)-2H-furan-5-one;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;methane;2-(4-methylphenyl)-3-phenyl-1-benzofuran;5-(4-methylphenyl)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazole?
The canonical SMILES for 5-bromo-2-(4-fluorophenyl)-3-(4-methylphenyl)thiophene;4-(3-fluoro-4-methylphenyl)-3-(4-methylphenyl)-2H-furan-5-one;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;methane;2-(4-methylphenyl)-3-phenyl-1-benzofuran;5-(4-methylphenyl)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazole is C.CC(=O)c1cccn2c(-c3ccc(F)cc3)c(-c3ccc(C)cc3)nc12.Cc1ccc(-c2cc(Br)sc2-c2ccc(F)cc2)cc1.Cc1ccc(-c2oc3ccccc3c2-c2ccccc2)cc1.Cc1ccc(-c2sc3ncnn3c2-c2ccccc2)cc1.Cc1ccc(C2=C(c3ccc(C)c(F)c3)C(=O)OC2)cc1.Cc1ccc(C2=C(c3cccc(F)c3)C(=O)OC2(C)C)cc1.
What is the InChIKey of 5-bromo-2-(4-fluorophenyl)-3-(4-methylphenyl)thiophene;4-(3-fluoro-4-methylphenyl)-3-(4-methylphenyl)-2H-furan-5-one;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;methane;2-(4-methylphenyl)-3-phenyl-1-benzofuran;5-(4-methylphenyl)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazole?
The InChIKey is SGYGHDCRIVXWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN2O.C21H16O.C19H17FO2.C18H15FO2.C17H12BrFS.C17H13N3S.CH4/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;1-15-11-13-17(14-12-15)21-20(16-7-3-2-4-8-16)18-9-5-6-10-19(18)22-21;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;1-11-3-6-13(7-4-11)15-10-21-18(20)17(15)14-8-5-12(2)16(19)9-14;1-11-2-4-12(5-3-11)15-10-16(18)20-17(15)13-6-8-14(19)9-7-13;1-12-7-9-14(10-8-12)16-15(13-5-3-2-4-6-13)20-17(21-16)18-11-19-20;/h3-13H,1-2H3;2-14H,1H3;4-11H,1-3H3;3-9H,10H2,1-2H3;2-10H,1H3;2-11H,1H3;1H4.
What are the key properties of 5-bromo-2-(4-fluorophenyl)-3-(4-methylphenyl)thiophene;4-(3-fluoro-4-methylphenyl)-3-(4-methylphenyl)-2H-furan-5-one;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;methane;2-(4-methylphenyl)-3-phenyl-1-benzofuran;5-(4-methylphenyl)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazole?
5-bromo-2-(4-fluorophenyl)-3-(4-methylphenyl)thiophene;4-(3-fluoro-4-methylphenyl)-3-(4-methylphenyl)-2H-furan-5-one;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;methane;2-(4-methylphenyl)-3-phenyl-1-benzofuran;5-(4-methylphenyl)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazole has a molecular weight of 1862.08 g/mol, XLogP of 31.05, 13 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-fluorophenyl)-3-(4-methylphenyl)thiophene;4-(3-fluoro-4-methylphenyl)-3-(4-methylphenyl)-2H-furan-5-one;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;methane;2-(4-methylphenyl)-3-phenyl-1-benzofuran;5-(4-methylphenyl)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazole is sourced from PubChem (CID 160832233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).