8-[3-[(E)-2-(1-methylimidazol-2-yl)-2-(4-methylsulfonylphenyl)ethenyl]phenyl]-6-propan-2-ylquinoline;8-[3-[(Z)-2-(4-methylsulfonylphenyl)-2-phenylethenyl]phenyl]-6-propan-2-ylquinoline;8-[3-[(E)-2-(4-methylsulfonylphenyl)-2-phenylethenyl]phenyl]-6-propan-2-ylquinoline;2-[(Z)-1-(4-methylsulfonylphenyl)-2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]ethenyl]-1,3-thiazole

C127H113N7O8S5 — CID 91085049

IUPAC8-[3-[(E)-2-(1-methylimidazol-2-yl)-2-(4-methylsulfonylphenyl)ethenyl]phenyl]-6-propan-2-ylquinoline;8-[3-[(Z)-2-(4-methylsulfonylphenyl)-2-phenylethenyl]phenyl]-6-propan-2-ylquinoline;8-[3-[(E)-2-(4-methylsulfonylphenyl)-2-phenylethenyl]phenyl]-6-propan-2-ylquinoline;2-[(Z)-1-(4-methylsulfonylphenyl)-2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]ethenyl]-1,3-thiazole
SMILESCC(C)c1cc(-c2cccc(/C=C(/c3ccc(S(C)(=O)=O)cc3)c3nccs3)c2)c2ncccc2c1.CC(C)c1cc(-c2cccc(/C=C(/c3ccccc3)c3ccc(S(C)(=O)=O)cc3)c2)c2ncccc2c1.CC(C)c1cc(-c2cccc(/C=C(\c3ccc(S(C)(=O)=O)cc3)c3nccn3C)c2)c2ncccc2c1.CC(C)c1cc(-c2cccc(/C=C(\c3ccccc3)c3ccc(S(C)(=O)=O)cc3)c2)c2ncccc2c1
InChIInChI=1S/2C33H29NO2S.C31H29N3O2S.C30H26N2O2S2/c2*1-23(2)29-21-28-13-8-18-34-33(28)32(22-29)27-12-7-9-24(19-27)20-31(25-10-5-4-6-11-25)26-14-16-30(17-15-26)37(3,35)36;1-21(2)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)3)23-10-12-27(13-11-23)37(4,35)36;1-20(2)25-18-24-8-5-13-31-29(24)27(19-25)23-7-4-6-21(16-23)17-28(30-32-14-15-35-30)22-9-11-26(12-10-22)36(3,33)34/h2*4-23H,1-3H3;5-21H,1-4H3;4-20H,1-3H3/b31-20+;31-20-;29-18+;28-17-
InChIKeyJIVFOQCHBVGOEG-RSICITQSSA-N
MW2025.68 g/mol
LogP30.26
Rot. Bonds24

About 8-[3-[(E)-2-(1-methylimidazol-2-yl)-2-(4-methylsulfonylphenyl)ethenyl]phenyl]-6-propan-2-ylquinoline;8-[3-[(Z)-2-(4-methylsulfonylphenyl)-2-phenylethenyl]phenyl]-6-propan-2-ylquinoline;8-[3-[(E)-2-(4-methylsulfonylphenyl)-2-phenylethenyl]phenyl]-6-propan-2-ylquinoline;2-[(Z)-1-(4-methylsulfonylphenyl)-2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]ethenyl]-1,3-thiazole

8-[3-[(E)-2-(1-methylimidazol-2-yl)-2-(4-methylsulfonylphenyl)ethenyl]phenyl]-6-propan-2-ylquinoline;8-[3-[(Z)-2-(4-methylsulfonylphenyl)-2-phenylethenyl]phenyl]-6-propan-2-ylquinoline;8-[3-[(E)-2-(4-methylsulfonylphenyl)-2-phenylethenyl]phenyl]-6-propan-2-ylquinoline;2-[(Z)-1-(4-methylsulfonylphenyl)-2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]ethenyl]-1,3-thiazole (PubChem CID 91085049) has the molecular formula C127H113N7O8S5 and a molecular weight of 2025.68 g/mol. Its IUPAC name is 8-[3-[(E)-2-(1-methylimidazol-2-yl)-2-(4-methylsulfonylphenyl)ethenyl]phenyl]-6-propan-2-ylquinoline;8-[3-[(Z)-2-(4-methylsulfonylphenyl)-2-phenylethenyl]phenyl]-6-propan-2-ylquinoline;8-[3-[(E)-2-(4-methylsulfonylphenyl)-2-phenylethenyl]phenyl]-6-propan-2-ylquinoline;2-[(Z)-1-(4-methylsulfonylphenyl)-2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]ethenyl]-1,3-thiazole.

Molecular Properties

Compound Name8-[3-[(E)-2-(1-methylimidazol-2-yl)-2-(4-methylsulfonylphenyl)ethenyl]phenyl]-6-propan-2-ylquinoline;8-[3-[(Z)-2-(4-methylsulfonylphenyl)-2-phenylethenyl]phenyl]-6-propan-2-ylquinoline;8-[3-[(E)-2-(4-methylsulfonylphenyl)-2-phenylethenyl]phenyl]-6-propan-2-ylquinoline;2-[(Z)-1-(4-methylsulfonylphenyl)-2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]ethenyl]-1,3-thiazole
PubChem CID91085049
Molecular FormulaC127H113N7O8S5
Molecular Weight2025.68 g/mol
Exact Mass2023.73
IUPAC Name8-[3-[(E)-2-(1-methylimidazol-2-yl)-2-(4-methylsulfonylphenyl)ethenyl]phenyl]-6-propan-2-ylquinoline;8-[3-[(Z)-2-(4-methylsulfonylphenyl)-2-phenylethenyl]phenyl]-6-propan-2-ylquinoline;8-[3-[(E)-2-(4-methylsulfonylphenyl)-2-phenylethenyl]phenyl]-6-propan-2-ylquinoline;2-[(Z)-1-(4-methylsulfonylphenyl)-2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]ethenyl]-1,3-thiazole
SMILESCC(C)c1cc(-c2cccc(/C=C(/c3ccc(S(C)(=O)=O)cc3)c3nccs3)c2)c2ncccc2c1.CC(C)c1cc(-c2cccc(/C=C(/c3ccccc3)c3ccc(S(C)(=O)=O)cc3)c2)c2ncccc2c1.CC(C)c1cc(-c2cccc(/C=C(\c3ccc(S(C)(=O)=O)cc3)c3nccn3C)c2)c2ncccc2c1.CC(C)c1cc(-c2cccc(/C=C(\c3ccccc3)c3ccc(S(C)(=O)=O)cc3)c2)c2ncccc2c1
InChIInChI=1S/2C33H29NO2S.C31H29N3O2S.C30H26N2O2S2/c2*1-23(2)29-21-28-13-8-18-34-33(28)32(22-29)27-12-7-9-24(19-27)20-31(25-10-5-4-6-11-25)26-14-16-30(17-15-26)37(3,35)36;1-21(2)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)3)23-10-12-27(13-11-23)37(4,35)36;1-20(2)25-18-24-8-5-13-31-29(24)27(19-25)23-7-4-6-21(16-23)17-28(30-32-14-15-35-30)22-9-11-26(12-10-22)36(3,33)34/h2*4-23H,1-3H3;5-21H,1-4H3;4-20H,1-3H3/b31-20+;31-20-;29-18+;28-17-
InChIKeyJIVFOQCHBVGOEG-RSICITQSSA-N
XLogP30.26
TPSA218.83 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds24
Heavy Atoms147
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002025.68
LogP ≤ 530.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 8-[3-[(E)-2-(1-methylimidazol-2-yl)-2-(4-methylsulfonylphenyl)ethenyl]phenyl]-6-propan-2-ylquinoline;8-[3-[(Z)-2-(4-methylsulfonylphenyl)-2-phenylethenyl]phenyl]-6-propan-2-ylquinoline;8-[3-[(E)-2-(4-methylsulfonylphenyl)-2-phenylethenyl]phenyl]-6-propan-2-ylquinoline;2-[(Z)-1-(4-methylsulfonylphenyl)-2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]ethenyl]-1,3-thiazole with MolForge

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Related Compounds

US11459321, Example 48
CID 156358434
8-[3-[2-Fluoro-2-(1-methylimidazol-2-yl)sulfonyl-2-(4-methylsulfonylphenyl)ethyl]phenyl]-6-(2-methylsulfonylpropan-2-yl)quinoline
CID 10211884
8-[3-[(Z)-2-(4-methylphenyl)-2-(4-methylsulfonylphenyl)ethenyl]phenyl]-6-propan-2-ylquinoline;8-[3-[(E)-2-(4-methylphenyl)-2-(4-methylsulfonylphenyl)ethenyl]phenyl]-6-propan-2-ylquinoline;2-[(Z)-1-(4-methylsulfonylphenyl)-2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]ethenyl]-1,3-thiazole;8-[3-[(E)-2-(4-methylsulfonylphenyl)-2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl]-6-propan-2-ylquinoline
CID 158163701
8-[3-[2-(1-Methylimidazol-2-yl)sulfonyl-2-(4-methylsulfonylphenyl)ethyl]phenyl]-6-(2-methylsulfonylpropan-2-yl)quinoline
CID 10122335
8-[3-[(E)-2-(1-methylimidazol-2-yl)-2-(4-methylsulfonylphenyl)ethenyl]phenyl]-6-propan-2-ylquinoline
CID 10185752
8-[3-[(Z)-2-(1-methylimidazol-2-yl)-2-(4-methylsulfonylphenyl)ethenyl]phenyl]-6-(2-methylsulfonylpropan-2-yl)quinoline
CID 10281873
8-[3-[(Z)-2-(1-methylimidazol-2-yl)-2-(4-methylsulfonylphenyl)ethenyl]phenyl]-6-(1-methylsulfonylethyl)quinoline
CID 10303474
6-[1-Methyl-1-(methylsulfonyl)ethyl]-8-(3-{6-[4-(methylsulfonyl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl}phenyl)quinoline
CID 57535437
8-[3-[2-(4-Methylsulfonylphenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-6-(2-methylsulfonylpropan-2-yl)quinoline
CID 57535450
8-[3-[2-(1-Methylimidazol-2-yl)-2-(4-methylsulfonylphenyl)ethenyl]phenyl]-6-propan-2-ylquinoline
CID 68882354
8-[3-[2-(1-Methylimidazol-2-yl)-2-(4-methylsulfonylphenyl)ethenyl]phenyl]-6-(1-methylsulfonylethyl)quinoline
CID 68882621
8-[3-[2-(1-Methylimidazol-2-yl)-2-(4-methylsulfonylphenyl)ethenyl]phenyl]-6-(2-methylsulfonylpropan-2-yl)quinoline
CID 68885692

Frequently Asked Questions

What is the IUPAC name of 8-[3-[(E)-2-(1-methylimidazol-2-yl)-2-(4-methylsulfonylphenyl)ethenyl]phenyl]-6-propan-2-ylquinoline;8-[3-[(Z)-2-(4-methylsulfonylphenyl)-2-phenylethenyl]phenyl]-6-propan-2-ylquinoline;8-[3-[(E)-2-(4-methylsulfonylphenyl)-2-phenylethenyl]phenyl]-6-propan-2-ylquinoline;2-[(Z)-1-(4-methylsulfonylphenyl)-2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]ethenyl]-1,3-thiazole?
The IUPAC name of 8-[3-[(E)-2-(1-methylimidazol-2-yl)-2-(4-methylsulfonylphenyl)ethenyl]phenyl]-6-propan-2-ylquinoline;8-[3-[(Z)-2-(4-methylsulfonylphenyl)-2-phenylethenyl]phenyl]-6-propan-2-ylquinoline;8-[3-[(E)-2-(4-methylsulfonylphenyl)-2-phenylethenyl]phenyl]-6-propan-2-ylquinoline;2-[(Z)-1-(4-methylsulfonylphenyl)-2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]ethenyl]-1,3-thiazole (CID 91085049) is 8-[3-[(E)-2-(1-methylimidazol-2-yl)-2-(4-methylsulfonylphenyl)ethenyl]phenyl]-6-propan-2-ylquinoline;8-[3-[(Z)-2-(4-methylsulfonylphenyl)-2-phenylethenyl]phenyl]-6-propan-2-ylquinoline;8-[3-[(E)-2-(4-methylsulfonylphenyl)-2-phenylethenyl]phenyl]-6-propan-2-ylquinoline;2-[(Z)-1-(4-methylsulfonylphenyl)-2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]ethenyl]-1,3-thiazole.
What is the SMILES notation for 8-[3-[(E)-2-(1-methylimidazol-2-yl)-2-(4-methylsulfonylphenyl)ethenyl]phenyl]-6-propan-2-ylquinoline;8-[3-[(Z)-2-(4-methylsulfonylphenyl)-2-phenylethenyl]phenyl]-6-propan-2-ylquinoline;8-[3-[(E)-2-(4-methylsulfonylphenyl)-2-phenylethenyl]phenyl]-6-propan-2-ylquinoline;2-[(Z)-1-(4-methylsulfonylphenyl)-2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]ethenyl]-1,3-thiazole?
The canonical SMILES for 8-[3-[(E)-2-(1-methylimidazol-2-yl)-2-(4-methylsulfonylphenyl)ethenyl]phenyl]-6-propan-2-ylquinoline;8-[3-[(Z)-2-(4-methylsulfonylphenyl)-2-phenylethenyl]phenyl]-6-propan-2-ylquinoline;8-[3-[(E)-2-(4-methylsulfonylphenyl)-2-phenylethenyl]phenyl]-6-propan-2-ylquinoline;2-[(Z)-1-(4-methylsulfonylphenyl)-2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]ethenyl]-1,3-thiazole is CC(C)c1cc(-c2cccc(/C=C(/c3ccc(S(C)(=O)=O)cc3)c3nccs3)c2)c2ncccc2c1.CC(C)c1cc(-c2cccc(/C=C(/c3ccccc3)c3ccc(S(C)(=O)=O)cc3)c2)c2ncccc2c1.CC(C)c1cc(-c2cccc(/C=C(\c3ccc(S(C)(=O)=O)cc3)c3nccn3C)c2)c2ncccc2c1.CC(C)c1cc(-c2cccc(/C=C(\c3ccccc3)c3ccc(S(C)(=O)=O)cc3)c2)c2ncccc2c1.
What is the InChIKey of 8-[3-[(E)-2-(1-methylimidazol-2-yl)-2-(4-methylsulfonylphenyl)ethenyl]phenyl]-6-propan-2-ylquinoline;8-[3-[(Z)-2-(4-methylsulfonylphenyl)-2-phenylethenyl]phenyl]-6-propan-2-ylquinoline;8-[3-[(E)-2-(4-methylsulfonylphenyl)-2-phenylethenyl]phenyl]-6-propan-2-ylquinoline;2-[(Z)-1-(4-methylsulfonylphenyl)-2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]ethenyl]-1,3-thiazole?
The InChIKey is JIVFOQCHBVGOEG-RSICITQSSA-N. The full InChI is InChI=1S/2C33H29NO2S.C31H29N3O2S.C30H26N2O2S2/c2*1-23(2)29-21-28-13-8-18-34-33(28)32(22-29)27-12-7-9-24(19-27)20-31(25-10-5-4-6-11-25)26-14-16-30(17-15-26)37(3,35)36;1-21(2)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)3)23-10-12-27(13-11-23)37(4,35)36;1-20(2)25-18-24-8-5-13-31-29(24)27(19-25)23-7-4-6-21(16-23)17-28(30-32-14-15-35-30)22-9-11-26(12-10-22)36(3,33)34/h2*4-23H,1-3H3;5-21H,1-4H3;4-20H,1-3H3/b31-20+;31-20-;29-18+;28-17-.
What are the key properties of 8-[3-[(E)-2-(1-methylimidazol-2-yl)-2-(4-methylsulfonylphenyl)ethenyl]phenyl]-6-propan-2-ylquinoline;8-[3-[(Z)-2-(4-methylsulfonylphenyl)-2-phenylethenyl]phenyl]-6-propan-2-ylquinoline;8-[3-[(E)-2-(4-methylsulfonylphenyl)-2-phenylethenyl]phenyl]-6-propan-2-ylquinoline;2-[(Z)-1-(4-methylsulfonylphenyl)-2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]ethenyl]-1,3-thiazole?
8-[3-[(E)-2-(1-methylimidazol-2-yl)-2-(4-methylsulfonylphenyl)ethenyl]phenyl]-6-propan-2-ylquinoline;8-[3-[(Z)-2-(4-methylsulfonylphenyl)-2-phenylethenyl]phenyl]-6-propan-2-ylquinoline;8-[3-[(E)-2-(4-methylsulfonylphenyl)-2-phenylethenyl]phenyl]-6-propan-2-ylquinoline;2-[(Z)-1-(4-methylsulfonylphenyl)-2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]ethenyl]-1,3-thiazole has a molecular weight of 2025.68 g/mol, XLogP of 30.26, 24 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-[(E)-2-(1-methylimidazol-2-yl)-2-(4-methylsulfonylphenyl)ethenyl]phenyl]-6-propan-2-ylquinoline;8-[3-[(Z)-2-(4-methylsulfonylphenyl)-2-phenylethenyl]phenyl]-6-propan-2-ylquinoline;8-[3-[(E)-2-(4-methylsulfonylphenyl)-2-phenylethenyl]phenyl]-6-propan-2-ylquinoline;2-[(Z)-1-(4-methylsulfonylphenyl)-2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]ethenyl]-1,3-thiazole is sourced from PubChem (CID 91085049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).