8-[3-[(Z)-2-(1-methylimidazol-2-yl)-2-(4-methylsulfonylphenyl)ethenyl]phenyl]-6-(1-methylsulfonylethyl)quinoline;2-methyl-2-[8-[3-[(E)-2-(1-methylimidazol-2-yl)-2-(4-methylsulfonylphenyl)ethenyl]phenyl]quinolin-6-yl]propanenitrile;2-[(E)-2-[3-[6-(1-methylsulfonylethyl)quinolin-8-yl]phenyl]-1-(4-methylsulfonylphenyl)ethenyl]-1,3-thiazole;2-[(E)-1-(4-methylsulfonylphenyl)-2-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]ethenyl]-1,3-thiazole

C124H111N11O14S9 — CID 91448665

About 8-[3-[(Z)-2-(1-methylimidazol-2-yl)-2-(4-methylsulfonylphenyl)ethenyl]phenyl]-6-(1-methylsulfonylethyl)quinoline;2-methyl-2-[8-[3-[(E)-2-(1-methylimidazol-2-yl)-2-(4-methylsulfonylphenyl)ethenyl]phenyl]quinolin-6-yl]propanenitrile;2-[(E)-2-[3-[6-(1-methylsulfonylethyl)quinolin-8-yl]phenyl]-1-(4-methylsulfonylphenyl)ethenyl]-1,3-thiazole;2-[(E)-1-(4-methylsulfonylphenyl)-2-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]ethenyl]-1,3-thiazole

8-[3-[(Z)-2-(1-methylimidazol-2-yl)-2-(4-methylsulfonylphenyl)ethenyl]phenyl]-6-(1-methylsulfonylethyl)quinoline;2-methyl-2-[8-[3-[(E)-2-(1-methylimidazol-2-yl)-2-(4-methylsulfonylphenyl)ethenyl]phenyl]quinolin-6-yl]propanenitrile;2-[(E)-2-[3-[6-(1-methylsulfonylethyl)quinolin-8-yl]phenyl]-1-(4-methylsulfonylphenyl)ethenyl]-1,3-thiazole;2-[(E)-1-(4-methylsulfonylphenyl)-2-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]ethenyl]-1,3-thiazole (PubChem CID 91448665) has the molecular formula C124H111N11O14S9 and a molecular weight of 2267.92 g/mol. Its IUPAC name is 8-[3-[(Z)-2-(1-methylimidazol-2-yl)-2-(4-methylsulfonylphenyl)ethenyl]phenyl]-6-(1-methylsulfonylethyl)quinoline;2-methyl-2-[8-[3-[(E)-2-(1-methylimidazol-2-yl)-2-(4-methylsulfonylphenyl)ethenyl]phenyl]quinolin-6-yl]propanenitrile;2-[(E)-2-[3-[6-(1-methylsulfonylethyl)quinolin-8-yl]phenyl]-1-(4-methylsulfonylphenyl)ethenyl]-1,3-thiazole;2-[(E)-1-(4-methylsulfonylphenyl)-2-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]ethenyl]-1,3-thiazole.

Molecular Properties

• Compound Name: 8-[3-[(Z)-2-(1-methylimidazol-2-yl)-2-(4-methylsulfonylphenyl)ethenyl]phenyl]-6-(1-methylsulfonylethyl)quinoline;2-methyl-2-[8-[3-[(E)-2-(1-methylimidazol-2-yl)-2-(4-methylsulfonylphenyl)ethenyl]phenyl]quinolin-6-yl]propanenitrile;2-[(E)-2-[3-[6-(1-methylsulfonylethyl)quinolin-8-yl]phenyl]-1-(4-methylsulfonylphenyl)ethenyl]-1,3-thiazole;2-[(E)-1-(4-methylsulfonylphenyl)-2-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]ethenyl]-1,3-thiazole
• PubChem CID: 91448665
• Molecular Formula: C124H111N11O14S9
• Molecular Weight: 2267.92 g/mol
• Exact Mass: 2265.58
• IUPAC Name: 8-[3-[(Z)-2-(1-methylimidazol-2-yl)-2-(4-methylsulfonylphenyl)ethenyl]phenyl]-6-(1-methylsulfonylethyl)quinoline;2-methyl-2-[8-[3-[(E)-2-(1-methylimidazol-2-yl)-2-(4-methylsulfonylphenyl)ethenyl]phenyl]quinolin-6-yl]propanenitrile;2-[(E)-2-[3-[6-(1-methylsulfonylethyl)quinolin-8-yl]phenyl]-1-(4-methylsulfonylphenyl)ethenyl]-1,3-thiazole;2-[(E)-1-(4-methylsulfonylphenyl)-2-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]ethenyl]-1,3-thiazole
• SMILES: CC(C)(c1cc(-c2cccc(/C=C(\c3ccc(S(C)(=O)=O)cc3)c3nccs3)c2)c2ncccc2c1)S(C)(=O)=O.CC(c1cc(-c2cccc(/C=C(/c3ccc(S(C)(=O)=O)cc3)c3nccn3C)c2)c2ncccc2c1)S(C)(=O)=O.CC(c1cc(-c2cccc(/C=C(\c3ccc(S(C)(=O)=O)cc3)c3nccs3)c2)c2ncccc2c1)S(C)(=O)=O.Cn1ccnc1/C(=C/c1cccc(-c2cc(C(C)(C)C#N)cc3cccnc23)c1)c1ccc(S(C)(=O)=O)cc1
• InChI: InChI=1S/C32H28N4O2S.C31H29N3O4S2.C31H28N2O4S3.C30H26N2O4S3/c1-32(2,21-33)26-19-25-9-6-14-34-30(25)28(20-26)24-8-5-7-22(17-24)18-29(31-35-15-16-36(31)3)23-10-12-27(13-11-23)39(4,37)38;1-21(39(3,35)36)26-19-25-9-6-14-32-30(25)28(20-26)24-8-5-7-22(17-24)18-29(31-33-15-16-34(31)2)23-10-12-27(13-11-23)40(4,37)38;1-31(2,40(4,36)37)25-19-24-9-6-14-32-29(24)27(20-25)23-8-5-7-21(17-23)18-28(30-33-15-16-38-30)22-10-12-26(13-11-22)39(3,34)35;1-20(38(2,33)34)25-18-24-8-5-13-31-29(24)27(19-25)23-7-4-6-21(16-23)17-28(30-32-14-15-37-30)22-9-11-26(12-10-22)39(3,35)36/h5-20H,1-4H3;5-21H,1-4H3;5-20H,1-4H3;4-20H,1-3H3/b29-18+;29-18-;28-18+;28-17+
• InChIKey: AHEKTJCMUOIHFR-IZTUPBIFSA-N
• XLogP: 25.25
• TPSA: 375.75 Ų
• H-Bond Acceptors: 27
• Rotatable Bonds: 27
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2267.92
LogP ≤ 5	25.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-[3-[(Z)-2-(1-methylimidazol-2-yl)-2-(4-methylsulfonylphenyl)ethenyl]phenyl]-6-(1-methylsulfonylethyl)quinoline;2-methyl-2-[8-[3-[(E)-2-(1-methylimidazol-2-yl)-2-(4-methylsulfonylphenyl)ethenyl]phenyl]quinolin-6-yl]propanenitrile;2-[(E)-2-[3-[6-(1-methylsulfonylethyl)quinolin-8-yl]phenyl]-1-(4-methylsulfonylphenyl)ethenyl]-1,3-thiazole;2-[(E)-1-(4-methylsulfonylphenyl)-2-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]ethenyl]-1,3-thiazole?

The IUPAC name of 8-[3-[(Z)-2-(1-methylimidazol-2-yl)-2-(4-methylsulfonylphenyl)ethenyl]phenyl]-6-(1-methylsulfonylethyl)quinoline;2-methyl-2-[8-[3-[(E)-2-(1-methylimidazol-2-yl)-2-(4-methylsulfonylphenyl)ethenyl]phenyl]quinolin-6-yl]propanenitrile;2-[(E)-2-[3-[6-(1-methylsulfonylethyl)quinolin-8-yl]phenyl]-1-(4-methylsulfonylphenyl)ethenyl]-1,3-thiazole;2-[(E)-1-(4-methylsulfonylphenyl)-2-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]ethenyl]-1,3-thiazole (CID 91448665) is 8-[3-[(Z)-2-(1-methylimidazol-2-yl)-2-(4-methylsulfonylphenyl)ethenyl]phenyl]-6-(1-methylsulfonylethyl)quinoline;2-methyl-2-[8-[3-[(E)-2-(1-methylimidazol-2-yl)-2-(4-methylsulfonylphenyl)ethenyl]phenyl]quinolin-6-yl]propanenitrile;2-[(E)-2-[3-[6-(1-methylsulfonylethyl)quinolin-8-yl]phenyl]-1-(4-methylsulfonylphenyl)ethenyl]-1,3-thiazole;2-[(E)-1-(4-methylsulfonylphenyl)-2-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]ethenyl]-1,3-thiazole.

What is the SMILES notation for 8-[3-[(Z)-2-(1-methylimidazol-2-yl)-2-(4-methylsulfonylphenyl)ethenyl]phenyl]-6-(1-methylsulfonylethyl)quinoline;2-methyl-2-[8-[3-[(E)-2-(1-methylimidazol-2-yl)-2-(4-methylsulfonylphenyl)ethenyl]phenyl]quinolin-6-yl]propanenitrile;2-[(E)-2-[3-[6-(1-methylsulfonylethyl)quinolin-8-yl]phenyl]-1-(4-methylsulfonylphenyl)ethenyl]-1,3-thiazole;2-[(E)-1-(4-methylsulfonylphenyl)-2-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]ethenyl]-1,3-thiazole?

The canonical SMILES for 8-[3-[(Z)-2-(1-methylimidazol-2-yl)-2-(4-methylsulfonylphenyl)ethenyl]phenyl]-6-(1-methylsulfonylethyl)quinoline;2-methyl-2-[8-[3-[(E)-2-(1-methylimidazol-2-yl)-2-(4-methylsulfonylphenyl)ethenyl]phenyl]quinolin-6-yl]propanenitrile;2-[(E)-2-[3-[6-(1-methylsulfonylethyl)quinolin-8-yl]phenyl]-1-(4-methylsulfonylphenyl)ethenyl]-1,3-thiazole;2-[(E)-1-(4-methylsulfonylphenyl)-2-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]ethenyl]-1,3-thiazole is CC(C)(c1cc(-c2cccc(/C=C(\c3ccc(S(C)(=O)=O)cc3)c3nccs3)c2)c2ncccc2c1)S(C)(=O)=O.CC(c1cc(-c2cccc(/C=C(/c3ccc(S(C)(=O)=O)cc3)c3nccn3C)c2)c2ncccc2c1)S(C)(=O)=O.CC(c1cc(-c2cccc(/C=C(\c3ccc(S(C)(=O)=O)cc3)c3nccs3)c2)c2ncccc2c1)S(C)(=O)=O.Cn1ccnc1/C(=C/c1cccc(-c2cc(C(C)(C)C#N)cc3cccnc23)c1)c1ccc(S(C)(=O)=O)cc1.

What is the InChIKey of 8-[3-[(Z)-2-(1-methylimidazol-2-yl)-2-(4-methylsulfonylphenyl)ethenyl]phenyl]-6-(1-methylsulfonylethyl)quinoline;2-methyl-2-[8-[3-[(E)-2-(1-methylimidazol-2-yl)-2-(4-methylsulfonylphenyl)ethenyl]phenyl]quinolin-6-yl]propanenitrile;2-[(E)-2-[3-[6-(1-methylsulfonylethyl)quinolin-8-yl]phenyl]-1-(4-methylsulfonylphenyl)ethenyl]-1,3-thiazole;2-[(E)-1-(4-methylsulfonylphenyl)-2-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]ethenyl]-1,3-thiazole?

The InChIKey is AHEKTJCMUOIHFR-IZTUPBIFSA-N. The full InChI is InChI=1S/C32H28N4O2S.C31H29N3O4S2.C31H28N2O4S3.C30H26N2O4S3/c1-32(2,21-33)26-19-25-9-6-14-34-30(25)28(20-26)24-8-5-7-22(17-24)18-29(31-35-15-16-36(31)3)23-10-12-27(13-11-23)39(4,37)38;1-21(39(3,35)36)26-19-25-9-6-14-32-30(25)28(20-26)24-8-5-7-22(17-24)18-29(31-33-15-16-34(31)2)23-10-12-27(13-11-23)40(4,37)38;1-31(2,40(4,36)37)25-19-24-9-6-14-32-29(24)27(20-25)23-8-5-7-21(17-23)18-28(30-33-15-16-38-30)22-10-12-26(13-11-22)39(3,34)35;1-20(38(2,33)34)25-18-24-8-5-13-31-29(24)27(19-25)23-7-4-6-21(16-23)17-28(30-32-14-15-37-30)22-9-11-26(12-10-22)39(3,35)36/h5-20H,1-4H3;5-21H,1-4H3;5-20H,1-4H3;4-20H,1-3H3/b29-18+;29-18-;28-18+;28-17+.

What are the key properties of 8-[3-[(Z)-2-(1-methylimidazol-2-yl)-2-(4-methylsulfonylphenyl)ethenyl]phenyl]-6-(1-methylsulfonylethyl)quinoline;2-methyl-2-[8-[3-[(E)-2-(1-methylimidazol-2-yl)-2-(4-methylsulfonylphenyl)ethenyl]phenyl]quinolin-6-yl]propanenitrile;2-[(E)-2-[3-[6-(1-methylsulfonylethyl)quinolin-8-yl]phenyl]-1-(4-methylsulfonylphenyl)ethenyl]-1,3-thiazole;2-[(E)-1-(4-methylsulfonylphenyl)-2-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]ethenyl]-1,3-thiazole?

8-[3-[(Z)-2-(1-methylimidazol-2-yl)-2-(4-methylsulfonylphenyl)ethenyl]phenyl]-6-(1-methylsulfonylethyl)quinoline;2-methyl-2-[8-[3-[(E)-2-(1-methylimidazol-2-yl)-2-(4-methylsulfonylphenyl)ethenyl]phenyl]quinolin-6-yl]propanenitrile;2-[(E)-2-[3-[6-(1-methylsulfonylethyl)quinolin-8-yl]phenyl]-1-(4-methylsulfonylphenyl)ethenyl]-1,3-thiazole;2-[(E)-1-(4-methylsulfonylphenyl)-2-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]ethenyl]-1,3-thiazole has a molecular weight of 2267.92 g/mol, XLogP of 25.25, 27 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[3-[(Z)-2-(1-methylimidazol-2-yl)-2-(4-methylsulfonylphenyl)ethenyl]phenyl]-6-(1-methylsulfonylethyl)quinoline;2-methyl-2-[8-[3-[(E)-2-(1-methylimidazol-2-yl)-2-(4-methylsulfonylphenyl)ethenyl]phenyl]quinolin-6-yl]propanenitrile;2-[(E)-2-[3-[6-(1-methylsulfonylethyl)quinolin-8-yl]phenyl]-1-(4-methylsulfonylphenyl)ethenyl]-1,3-thiazole;2-[(E)-1-(4-methylsulfonylphenyl)-2-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]ethenyl]-1,3-thiazole is sourced from PubChem (CID 91448665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).