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

C132H116F3N5O8S5 — CID 158163701

IUPAC8-[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
SMILESCC(C)c1cc(-c2cccc(/C=C(/c3ccc(S(C)(=O)=O)cc3)c3nccs3)c2)c2ncccc2c1.CC(C)c1cc(-c2cccc(/C=C(\c3ccc(C(F)(F)F)cc3)c3ccc(S(C)(=O)=O)cc3)c2)c2ncccc2c1.Cc1ccc(/C(=C/c2cccc(-c3cc(C(C)C)cc4cccnc34)c2)c2ccc(S(C)(=O)=O)cc2)cc1.Cc1ccc(/C(=C\c2cccc(-c3cc(C(C)C)cc4cccnc34)c2)c2ccc(S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C34H28F3NO2S.2C34H31NO2S.C30H26N2O2S2/c1-22(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;2*1-23(2)30-21-29-9-6-18-35-34(29)33(22-30)28-8-5-7-25(19-28)20-32(26-12-10-24(3)11-13-26)27-14-16-31(17-15-27)38(4,36)37;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/h4-22H,1-3H3;2*5-23H,1-4H3;4-20H,1-3H3/b31-19+;32-20+;32-20-;28-17-
InChIKeyFWOVCEQCNBNDHJ-IYXJHZQTSA-N
MW2117.74 g/mol
LogP33.16
Rot. Bonds24

About 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

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 (PubChem CID 158163701) has the molecular formula C132H116F3N5O8S5 and a molecular weight of 2117.74 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name8-[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
PubChem CID158163701
Molecular FormulaC132H116F3N5O8S5
Molecular Weight2117.74 g/mol
Exact Mass2115.74
IUPAC Name8-[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
SMILESCC(C)c1cc(-c2cccc(/C=C(/c3ccc(S(C)(=O)=O)cc3)c3nccs3)c2)c2ncccc2c1.CC(C)c1cc(-c2cccc(/C=C(\c3ccc(C(F)(F)F)cc3)c3ccc(S(C)(=O)=O)cc3)c2)c2ncccc2c1.Cc1ccc(/C(=C/c2cccc(-c3cc(C(C)C)cc4cccnc34)c2)c2ccc(S(C)(=O)=O)cc2)cc1.Cc1ccc(/C(=C\c2cccc(-c3cc(C(C)C)cc4cccnc34)c2)c2ccc(S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C34H28F3NO2S.2C34H31NO2S.C30H26N2O2S2/c1-22(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;2*1-23(2)30-21-29-9-6-18-35-34(29)33(22-30)28-8-5-7-25(19-28)20-32(26-12-10-24(3)11-13-26)27-14-16-31(17-15-27)38(4,36)37;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/h4-22H,1-3H3;2*5-23H,1-4H3;4-20H,1-3H3/b31-19+;32-20+;32-20-;28-17-
InChIKeyFWOVCEQCNBNDHJ-IYXJHZQTSA-N
XLogP33.16
TPSA201.01 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds24
Heavy Atoms153
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002117.74
LogP ≤ 533.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)c1cc(-c2cccc(/C=C(/c3ccc(S(C)(=O)=O)cc3)c3nccs3)c2)c2ncccc2c1.CC(C)c1cc(-c2cccc(/C=C(\c3ccc(C(F)(F)F)cc3)c3ccc(S(C)(=O)=O)cc3)c2)c2ncccc2c1.Cc1ccc(/C(=C/c2cccc(-c3cc(C(C)C)cc4cccnc34)c2)c2ccc(S(C)(=O)=O)cc2)cc1.Cc1ccc(/C(=C\c2cccc(-c3cc(C(C)C)cc4cccnc34)c2)c2ccc(S(C)(=O)=O)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is FWOVCEQCNBNDHJ-IYXJHZQTSA-N. The full InChI is InChI=1S/C34H28F3NO2S.2C34H31NO2S.C30H26N2O2S2/c1-22(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;2*1-23(2)30-21-29-9-6-18-35-34(29)33(22-30)28-8-5-7-25(19-28)20-32(26-12-10-24(3)11-13-26)27-14-16-31(17-15-27)38(4,36)37;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/h4-22H,1-3H3;2*5-23H,1-4H3;4-20H,1-3H3/b31-19+;32-20+;32-20-;28-17-.
What are the key properties of 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?
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 has a molecular weight of 2117.74 g/mol, XLogP of 33.16, 24 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158163701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).