methyl 4-[(E)-1-(4-methylsulfonylphenyl)-2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]ethenyl]benzoate;4-[(E)-1-(4-methylsulfonylphenyl)-2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]ethenyl]benzoic acid;2-[4-[(E)-1-(4-methylsulfonylphenyl)-2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]ethenyl]phenyl]propan-2-ol;8-[3-[(Z)-2-(4-methylsulfonylphenyl)-2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl]-6-propan-2-ylquinoline

C139H123F3N4O13S4 — CID 158732508

IUPACmethyl 4-[(E)-1-(4-methylsulfonylphenyl)-2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]ethenyl]benzoate;4-[(E)-1-(4-methylsulfonylphenyl)-2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]ethenyl]benzoic acid;2-[4-[(E)-1-(4-methylsulfonylphenyl)-2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]ethenyl]phenyl]propan-2-ol;8-[3-[(Z)-2-(4-methylsulfonylphenyl)-2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl]-6-propan-2-ylquinoline
SMILESCC(C)c1cc(-c2cccc(/C=C(/c3ccc(C(F)(F)F)cc3)c3ccc(S(C)(=O)=O)cc3)c2)c2ncccc2c1.CC(C)c1cc(-c2cccc(/C=C(\c3ccc(C(=O)O)cc3)c3ccc(S(C)(=O)=O)cc3)c2)c2ncccc2c1.CC(C)c1cc(-c2cccc(/C=C(\c3ccc(C(C)(C)O)cc3)c3ccc(S(C)(=O)=O)cc3)c2)c2ncccc2c1.COC(=O)c1ccc(/C(=C\c2cccc(-c3cc(C(C)C)cc4cccnc34)c2)c2ccc(S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C36H35NO3S.C35H31NO4S.C34H28F3NO2S.C34H29NO4S/c1-24(2)30-22-29-10-7-19-37-35(29)34(23-30)28-9-6-8-25(20-28)21-33(26-11-15-31(16-12-26)36(3,4)38)27-13-17-32(18-14-27)41(5,39)40;1-23(2)30-21-29-9-6-18-36-34(29)33(22-30)28-8-5-7-24(19-28)20-32(25-10-12-27(13-11-25)35(37)40-3)26-14-16-31(17-15-26)41(4,38)39;1-22(2)28-20-27-8-5-17-38-33(27)32(21-28)26-7-4-6-23(18-26)19-31(24-9-13-29(14-10-24)34(35,36)37)25-11-15-30(16-12-25)41(3,39)40;1-22(2)29-20-28-8-5-17-35-33(28)32(21-29)27-7-4-6-23(18-27)19-31(24-9-11-26(12-10-24)34(36)37)25-13-15-30(16-14-25)40(3,38)39/h6-24,38H,1-5H3;5-23H,1-4H3;4-22H,1-3H3;4-22H,1-3H3,(H,36,37)/b33-21+;32-20+;31-19-;31-19+
InChIKeyILGPYQSDCOQTPH-OBZCKFPISA-N
MW2242.79 g/mol
LogP32.80
Rot. Bonds27

About methyl 4-[(E)-1-(4-methylsulfonylphenyl)-2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]ethenyl]benzoate;4-[(E)-1-(4-methylsulfonylphenyl)-2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]ethenyl]benzoic acid;2-[4-[(E)-1-(4-methylsulfonylphenyl)-2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]ethenyl]phenyl]propan-2-ol;8-[3-[(Z)-2-(4-methylsulfonylphenyl)-2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl]-6-propan-2-ylquinoline

methyl 4-[(E)-1-(4-methylsulfonylphenyl)-2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]ethenyl]benzoate;4-[(E)-1-(4-methylsulfonylphenyl)-2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]ethenyl]benzoic acid;2-[4-[(E)-1-(4-methylsulfonylphenyl)-2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]ethenyl]phenyl]propan-2-ol;8-[3-[(Z)-2-(4-methylsulfonylphenyl)-2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl]-6-propan-2-ylquinoline (PubChem CID 158732508) has the molecular formula C139H123F3N4O13S4 and a molecular weight of 2242.79 g/mol. Its IUPAC name is methyl 4-[(E)-1-(4-methylsulfonylphenyl)-2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]ethenyl]benzoate;4-[(E)-1-(4-methylsulfonylphenyl)-2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]ethenyl]benzoic acid;2-[4-[(E)-1-(4-methylsulfonylphenyl)-2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]ethenyl]phenyl]propan-2-ol;8-[3-[(Z)-2-(4-methylsulfonylphenyl)-2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl]-6-propan-2-ylquinoline.

Molecular Properties

Compound Namemethyl 4-[(E)-1-(4-methylsulfonylphenyl)-2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]ethenyl]benzoate;4-[(E)-1-(4-methylsulfonylphenyl)-2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]ethenyl]benzoic acid;2-[4-[(E)-1-(4-methylsulfonylphenyl)-2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]ethenyl]phenyl]propan-2-ol;8-[3-[(Z)-2-(4-methylsulfonylphenyl)-2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl]-6-propan-2-ylquinoline
PubChem CID158732508
Molecular FormulaC139H123F3N4O13S4
Molecular Weight2242.79 g/mol
Exact Mass2240.79
IUPAC Namemethyl 4-[(E)-1-(4-methylsulfonylphenyl)-2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]ethenyl]benzoate;4-[(E)-1-(4-methylsulfonylphenyl)-2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]ethenyl]benzoic acid;2-[4-[(E)-1-(4-methylsulfonylphenyl)-2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]ethenyl]phenyl]propan-2-ol;8-[3-[(Z)-2-(4-methylsulfonylphenyl)-2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl]-6-propan-2-ylquinoline
SMILESCC(C)c1cc(-c2cccc(/C=C(/c3ccc(C(F)(F)F)cc3)c3ccc(S(C)(=O)=O)cc3)c2)c2ncccc2c1.CC(C)c1cc(-c2cccc(/C=C(\c3ccc(C(=O)O)cc3)c3ccc(S(C)(=O)=O)cc3)c2)c2ncccc2c1.CC(C)c1cc(-c2cccc(/C=C(\c3ccc(C(C)(C)O)cc3)c3ccc(S(C)(=O)=O)cc3)c2)c2ncccc2c1.COC(=O)c1ccc(/C(=C\c2cccc(-c3cc(C(C)C)cc4cccnc34)c2)c2ccc(S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C36H35NO3S.C35H31NO4S.C34H28F3NO2S.C34H29NO4S/c1-24(2)30-22-29-10-7-19-37-35(29)34(23-30)28-9-6-8-25(20-28)21-33(26-11-15-31(16-12-26)36(3,4)38)27-13-17-32(18-14-27)41(5,39)40;1-23(2)30-21-29-9-6-18-36-34(29)33(22-30)28-8-5-7-24(19-28)20-32(25-10-12-27(13-11-25)35(37)40-3)26-14-16-31(17-15-26)41(4,38)39;1-22(2)28-20-27-8-5-17-38-33(27)32(21-28)26-7-4-6-23(18-26)19-31(24-9-13-29(14-10-24)34(35,36)37)25-11-15-30(16-12-25)41(3,39)40;1-22(2)29-20-28-8-5-17-35-33(28)32(21-29)27-7-4-6-23(18-27)19-31(24-9-11-26(12-10-24)34(36)37)25-13-15-30(16-14-25)40(3,38)39/h6-24,38H,1-5H3;5-23H,1-4H3;4-22H,1-3H3;4-22H,1-3H3,(H,36,37)/b33-21+;32-20+;31-19-;31-19+
InChIKeyILGPYQSDCOQTPH-OBZCKFPISA-N
XLogP32.80
TPSA271.95 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds27
Heavy Atoms163
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002242.79
LogP ≤ 532.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze methyl 4-[(E)-1-(4-methylsulfonylphenyl)-2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]ethenyl]benzoate;4-[(E)-1-(4-methylsulfonylphenyl)-2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]ethenyl]benzoic acid;2-[4-[(E)-1-(4-methylsulfonylphenyl)-2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]ethenyl]phenyl]propan-2-ol;8-[3-[(Z)-2-(4-methylsulfonylphenyl)-2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl]-6-propan-2-ylquinoline with MolForge

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Related Compounds

(Z)-3-[3-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)quinolin-8-yl]phenyl]-2-(4-methylsulfonylphenyl)prop-2-enoic acid
CID 59896959
Ethyl 2-fluoro-2-(4-methylsulfanylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propanoate;ethyl 2-fluoro-2-(4-methylsulfonylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propanoate;2-fluoro-2-(4-methylsulfonylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propan-1-ol;2-(4-fluorophenyl)-3-methyl-3-(4-methylsulfonylphenyl)-4-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]butan-2-ol;2-methyl-3-(4-methylsulfonylphenyl)-4-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]butan-2-ol;1,1,1-trifluoro-3-(4-methylsulfonylphenyl)-4-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]butan-2-ol
CID 157293403
Cumene;(4,4-dimethylpiperazin-4-ium-1-yl)-(3-propan-2-ylphenyl)methanone;1-methyl-2-propan-2-ylbenzene;methyl 3-propan-2-ylbenzoate;2-methyl-6-propan-2-ylpyridine;1-methylsulfanyl-3-propan-2-ylbenzene;1-methylsulfonyl-3-propan-2-ylbenzene;bis(1-(3-propan-2-ylphenyl)ethanone);2-propan-2-ylpyridine;3-propan-2-yl-5-(trifluoromethyl)pyridine
CID 158419912
4-Chloroquinoline;1-(4-quinolin-4-ylsulfanylphenyl)ethanone;1-(4-quinolin-4-ylsulfonylphenyl)ethanone;1-(4-sulfanylphenyl)ethanone;1,1,1-trifluoro-2-(4-quinolin-4-ylsulfonylphenyl)propan-2-ol;trimethyl(trifluoromethyl)silane
CID 158462369
4-[2-{3-[6-(1-Methanesulfonyl-1-methyl-ethyl)-quinolin-8-yl]-phenyl}-1-(4-methanesulfonyl-phenyl)-ethylsulfanyl]-benzoic acid ethyl ester
CID 10122718
4-[(E)-1-(4-methylsulfonylphenyl)-2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]ethenyl]benzoic acid
CID 22083670
methyl 4-[(E)-1-(4-methylsulfonylphenyl)-2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]ethenyl]benzoate
CID 22083772
3-(4-Methylperoxysulfanylphenyl)-4-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]benzoic acid
CID 57535424
Methyl 4-[(4-methylsulfanylphenyl)-[1-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]ethyl]carbamoyl]benzoate
CID 68888203
3-(4-Methylsulfonylphenyl)-4-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]benzoic acid
CID 68955414
Methyl 3-(4-methylsulfonylphenyl)-4-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]benzoate
CID 68956227
4-[2-(4-Methylsulfonylphenyl)phenyl]-2-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]benzoic acid
CID 69569970

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(E)-1-(4-methylsulfonylphenyl)-2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]ethenyl]benzoate;4-[(E)-1-(4-methylsulfonylphenyl)-2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]ethenyl]benzoic acid;2-[4-[(E)-1-(4-methylsulfonylphenyl)-2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]ethenyl]phenyl]propan-2-ol;8-[3-[(Z)-2-(4-methylsulfonylphenyl)-2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl]-6-propan-2-ylquinoline?
The IUPAC name of methyl 4-[(E)-1-(4-methylsulfonylphenyl)-2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]ethenyl]benzoate;4-[(E)-1-(4-methylsulfonylphenyl)-2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]ethenyl]benzoic acid;2-[4-[(E)-1-(4-methylsulfonylphenyl)-2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]ethenyl]phenyl]propan-2-ol;8-[3-[(Z)-2-(4-methylsulfonylphenyl)-2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl]-6-propan-2-ylquinoline (CID 158732508) is methyl 4-[(E)-1-(4-methylsulfonylphenyl)-2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]ethenyl]benzoate;4-[(E)-1-(4-methylsulfonylphenyl)-2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]ethenyl]benzoic acid;2-[4-[(E)-1-(4-methylsulfonylphenyl)-2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]ethenyl]phenyl]propan-2-ol;8-[3-[(Z)-2-(4-methylsulfonylphenyl)-2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl]-6-propan-2-ylquinoline.
What is the SMILES notation for methyl 4-[(E)-1-(4-methylsulfonylphenyl)-2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]ethenyl]benzoate;4-[(E)-1-(4-methylsulfonylphenyl)-2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]ethenyl]benzoic acid;2-[4-[(E)-1-(4-methylsulfonylphenyl)-2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]ethenyl]phenyl]propan-2-ol;8-[3-[(Z)-2-(4-methylsulfonylphenyl)-2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl]-6-propan-2-ylquinoline?
The canonical SMILES for methyl 4-[(E)-1-(4-methylsulfonylphenyl)-2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]ethenyl]benzoate;4-[(E)-1-(4-methylsulfonylphenyl)-2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]ethenyl]benzoic acid;2-[4-[(E)-1-(4-methylsulfonylphenyl)-2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]ethenyl]phenyl]propan-2-ol;8-[3-[(Z)-2-(4-methylsulfonylphenyl)-2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl]-6-propan-2-ylquinoline is CC(C)c1cc(-c2cccc(/C=C(/c3ccc(C(F)(F)F)cc3)c3ccc(S(C)(=O)=O)cc3)c2)c2ncccc2c1.CC(C)c1cc(-c2cccc(/C=C(\c3ccc(C(=O)O)cc3)c3ccc(S(C)(=O)=O)cc3)c2)c2ncccc2c1.CC(C)c1cc(-c2cccc(/C=C(\c3ccc(C(C)(C)O)cc3)c3ccc(S(C)(=O)=O)cc3)c2)c2ncccc2c1.COC(=O)c1ccc(/C(=C\c2cccc(-c3cc(C(C)C)cc4cccnc34)c2)c2ccc(S(C)(=O)=O)cc2)cc1.
What is the InChIKey of methyl 4-[(E)-1-(4-methylsulfonylphenyl)-2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]ethenyl]benzoate;4-[(E)-1-(4-methylsulfonylphenyl)-2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]ethenyl]benzoic acid;2-[4-[(E)-1-(4-methylsulfonylphenyl)-2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]ethenyl]phenyl]propan-2-ol;8-[3-[(Z)-2-(4-methylsulfonylphenyl)-2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl]-6-propan-2-ylquinoline?
The InChIKey is ILGPYQSDCOQTPH-OBZCKFPISA-N. The full InChI is InChI=1S/C36H35NO3S.C35H31NO4S.C34H28F3NO2S.C34H29NO4S/c1-24(2)30-22-29-10-7-19-37-35(29)34(23-30)28-9-6-8-25(20-28)21-33(26-11-15-31(16-12-26)36(3,4)38)27-13-17-32(18-14-27)41(5,39)40;1-23(2)30-21-29-9-6-18-36-34(29)33(22-30)28-8-5-7-24(19-28)20-32(25-10-12-27(13-11-25)35(37)40-3)26-14-16-31(17-15-26)41(4,38)39;1-22(2)28-20-27-8-5-17-38-33(27)32(21-28)26-7-4-6-23(18-26)19-31(24-9-13-29(14-10-24)34(35,36)37)25-11-15-30(16-12-25)41(3,39)40;1-22(2)29-20-28-8-5-17-35-33(28)32(21-29)27-7-4-6-23(18-27)19-31(24-9-11-26(12-10-24)34(36)37)25-13-15-30(16-14-25)40(3,38)39/h6-24,38H,1-5H3;5-23H,1-4H3;4-22H,1-3H3;4-22H,1-3H3,(H,36,37)/b33-21+;32-20+;31-19-;31-19+.
What are the key properties of methyl 4-[(E)-1-(4-methylsulfonylphenyl)-2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]ethenyl]benzoate;4-[(E)-1-(4-methylsulfonylphenyl)-2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]ethenyl]benzoic acid;2-[4-[(E)-1-(4-methylsulfonylphenyl)-2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]ethenyl]phenyl]propan-2-ol;8-[3-[(Z)-2-(4-methylsulfonylphenyl)-2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl]-6-propan-2-ylquinoline?
methyl 4-[(E)-1-(4-methylsulfonylphenyl)-2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]ethenyl]benzoate;4-[(E)-1-(4-methylsulfonylphenyl)-2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]ethenyl]benzoic acid;2-[4-[(E)-1-(4-methylsulfonylphenyl)-2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]ethenyl]phenyl]propan-2-ol;8-[3-[(Z)-2-(4-methylsulfonylphenyl)-2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl]-6-propan-2-ylquinoline has a molecular weight of 2242.79 g/mol, XLogP of 32.80, 27 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(E)-1-(4-methylsulfonylphenyl)-2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]ethenyl]benzoate;4-[(E)-1-(4-methylsulfonylphenyl)-2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]ethenyl]benzoic acid;2-[4-[(E)-1-(4-methylsulfonylphenyl)-2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]ethenyl]phenyl]propan-2-ol;8-[3-[(Z)-2-(4-methylsulfonylphenyl)-2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl]-6-propan-2-ylquinoline is sourced from PubChem (CID 158732508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).