4,4-dimethyl-2-(4-methylsulfonylphenyl)-1-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]pentan-3-ol;ethyl 2-hydroxy-2-(4-methylsulfonylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propanoate;1-(4-fluorophenyl)-2-methyl-2-(4-methylsulfonylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propan-1-one;2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-4-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]butan-2-ol;1-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propan-1-ol;2,4,4-trimethyl-2-(4-methylsulfonylphenyl)-1-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]pentan-3-one

C205H215F3N6O32S12 — CID 158059791

IUPAC4,4-dimethyl-2-(4-methylsulfonylphenyl)-1-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]pentan-3-ol;ethyl 2-hydroxy-2-(4-methylsulfonylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propanoate;1-(4-fluorophenyl)-2-methyl-2-(4-methylsulfonylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propan-1-one;2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-4-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]butan-2-ol;1-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propan-1-ol;2,4,4-trimethyl-2-(4-methylsulfonylphenyl)-1-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]pentan-3-one
SMILESCC(C)(C)C(=O)C(C)(Cc1cccc(-c2cc(C(C)(C)S(C)(=O)=O)cc3cccnc23)c1)c1ccc(S(C)(=O)=O)cc1.CC(C)(C)C(O)C(Cc1cccc(-c2cc(C(C)(C)S(C)(=O)=O)cc3cccnc23)c1)c1ccc(S(C)(=O)=O)cc1.CC(C)(c1cc(-c2cccc(CC(c3ccc(S(C)(=O)=O)cc3)C(O)c3ccc(F)cc3)c2)c2ncccc2c1)S(C)(=O)=O.CC(Cc1cccc(-c2cc(C(C)(C)S(C)(=O)=O)cc3cccnc23)c1)(C(=O)c1ccc(F)cc1)c1ccc(S(C)(=O)=O)cc1.CC(O)(c1ccc(F)cc1)C(Cc1cccc(-c2cc(C(C)(C)S(C)(=O)=O)cc3cccnc23)c1)c1ccc(S(C)(=O)=O)cc1.CCOC(=O)C(O)(Cc1cccc(-c2cc(C(C)(C)S(C)(=O)=O)cc3cccnc23)c1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C36H36FNO5S2.C36H34FNO5S2.C35H34FNO5S2.C34H39NO5S2.C33H39NO5S2.C31H33NO7S2/c1-35(2,45(5,42)43)29-22-27-10-7-19-38-34(27)32(23-29)26-9-6-8-24(20-26)21-33(25-11-17-31(18-12-25)44(4,40)41)36(3,39)28-13-15-30(37)16-14-28;1-35(2,45(5,42)43)29-21-27-10-7-19-38-33(27)32(22-29)26-9-6-8-24(20-26)23-36(3,34(39)25-11-15-30(37)16-12-25)28-13-17-31(18-14-28)44(4,40)41;1-35(2,44(4,41)42)28-21-27-9-6-18-37-33(27)31(22-28)26-8-5-7-23(19-26)20-32(34(38)25-10-14-29(36)15-11-25)24-12-16-30(17-13-24)43(3,39)40;1-32(2,3)31(36)34(6,26-14-16-28(17-15-26)41(7,37)38)22-23-11-9-12-24(19-23)29-21-27(33(4,5)42(8,39)40)20-25-13-10-18-35-30(25)29;1-32(2,3)31(35)29(23-13-15-27(16-14-23)40(6,36)37)19-22-10-8-11-24(18-22)28-21-26(33(4,5)41(7,38)39)20-25-12-9-17-34-30(25)28;1-6-39-29(33)31(34,24-12-14-26(15-13-24)40(4,35)36)20-21-9-7-10-22(17-21)27-19-25(30(2,3)41(5,37)38)18-23-11-8-16-32-28(23)27/h6-20,22-23,33,39H,21H2,1-5H3;6-22H,23H2,1-5H3;5-19,21-22,32,34,38H,20H2,1-4H3;9-21H,22H2,1-8H3;8-18,20-21,29,31,35H,19H2,1-7H3;7-19,34H,6,20H2,1-5H3
InChIKeyFKMPYZJMVUIYHY-UHFFFAOYSA-N
MW3716.78 g/mol
LogP38.45
Rot. Bonds52

About 4,4-dimethyl-2-(4-methylsulfonylphenyl)-1-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]pentan-3-ol;ethyl 2-hydroxy-2-(4-methylsulfonylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propanoate;1-(4-fluorophenyl)-2-methyl-2-(4-methylsulfonylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propan-1-one;2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-4-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]butan-2-ol;1-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propan-1-ol;2,4,4-trimethyl-2-(4-methylsulfonylphenyl)-1-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]pentan-3-one

4,4-dimethyl-2-(4-methylsulfonylphenyl)-1-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]pentan-3-ol;ethyl 2-hydroxy-2-(4-methylsulfonylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propanoate;1-(4-fluorophenyl)-2-methyl-2-(4-methylsulfonylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propan-1-one;2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-4-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]butan-2-ol;1-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propan-1-ol;2,4,4-trimethyl-2-(4-methylsulfonylphenyl)-1-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]pentan-3-one (PubChem CID 158059791) has the molecular formula C205H215F3N6O32S12 and a molecular weight of 3716.78 g/mol. Its IUPAC name is 4,4-dimethyl-2-(4-methylsulfonylphenyl)-1-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]pentan-3-ol;ethyl 2-hydroxy-2-(4-methylsulfonylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propanoate;1-(4-fluorophenyl)-2-methyl-2-(4-methylsulfonylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propan-1-one;2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-4-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]butan-2-ol;1-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propan-1-ol;2,4,4-trimethyl-2-(4-methylsulfonylphenyl)-1-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]pentan-3-one.

Molecular Properties

Compound Name4,4-dimethyl-2-(4-methylsulfonylphenyl)-1-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]pentan-3-ol;ethyl 2-hydroxy-2-(4-methylsulfonylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propanoate;1-(4-fluorophenyl)-2-methyl-2-(4-methylsulfonylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propan-1-one;2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-4-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]butan-2-ol;1-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propan-1-ol;2,4,4-trimethyl-2-(4-methylsulfonylphenyl)-1-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]pentan-3-one
PubChem CID158059791
Molecular FormulaC205H215F3N6O32S12
Molecular Weight3716.78 g/mol
Exact Mass3713.20
IUPAC Name4,4-dimethyl-2-(4-methylsulfonylphenyl)-1-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]pentan-3-ol;ethyl 2-hydroxy-2-(4-methylsulfonylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propanoate;1-(4-fluorophenyl)-2-methyl-2-(4-methylsulfonylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propan-1-one;2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-4-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]butan-2-ol;1-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propan-1-ol;2,4,4-trimethyl-2-(4-methylsulfonylphenyl)-1-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]pentan-3-one
SMILESCC(C)(C)C(=O)C(C)(Cc1cccc(-c2cc(C(C)(C)S(C)(=O)=O)cc3cccnc23)c1)c1ccc(S(C)(=O)=O)cc1.CC(C)(C)C(O)C(Cc1cccc(-c2cc(C(C)(C)S(C)(=O)=O)cc3cccnc23)c1)c1ccc(S(C)(=O)=O)cc1.CC(C)(c1cc(-c2cccc(CC(c3ccc(S(C)(=O)=O)cc3)C(O)c3ccc(F)cc3)c2)c2ncccc2c1)S(C)(=O)=O.CC(Cc1cccc(-c2cc(C(C)(C)S(C)(=O)=O)cc3cccnc23)c1)(C(=O)c1ccc(F)cc1)c1ccc(S(C)(=O)=O)cc1.CC(O)(c1ccc(F)cc1)C(Cc1cccc(-c2cc(C(C)(C)S(C)(=O)=O)cc3cccnc23)c1)c1ccc(S(C)(=O)=O)cc1.CCOC(=O)C(O)(Cc1cccc(-c2cc(C(C)(C)S(C)(=O)=O)cc3cccnc23)c1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C36H36FNO5S2.C36H34FNO5S2.C35H34FNO5S2.C34H39NO5S2.C33H39NO5S2.C31H33NO7S2/c1-35(2,45(5,42)43)29-22-27-10-7-19-38-34(27)32(23-29)26-9-6-8-24(20-26)21-33(25-11-17-31(18-12-25)44(4,40)41)36(3,39)28-13-15-30(37)16-14-28;1-35(2,45(5,42)43)29-21-27-10-7-19-38-33(27)32(22-29)26-9-6-8-24(20-26)23-36(3,34(39)25-11-15-30(37)16-12-25)28-13-17-31(18-14-28)44(4,40)41;1-35(2,44(4,41)42)28-21-27-9-6-18-37-33(27)31(22-28)26-8-5-7-23(19-26)20-32(34(38)25-10-14-29(36)15-11-25)24-12-16-30(17-13-24)43(3,39)40;1-32(2,3)31(36)34(6,26-14-16-28(17-15-26)41(7,37)38)22-23-11-9-12-24(19-23)29-21-27(33(4,5)42(8,39)40)20-25-13-10-18-35-30(25)29;1-32(2,3)31(35)29(23-13-15-27(16-14-23)40(6,36)37)19-22-10-8-11-24(18-22)28-21-26(33(4,5)41(7,38)39)20-25-12-9-17-34-30(25)28;1-6-39-29(33)31(34,24-12-14-26(15-13-24)40(4,35)36)20-21-9-7-10-22(17-21)27-19-25(30(2,3)41(5,37)38)18-23-11-8-16-32-28(23)27/h6-20,22-23,33,39H,21H2,1-5H3;6-22H,23H2,1-5H3;5-19,21-22,32,34,38H,20H2,1-4H3;9-21H,22H2,1-8H3;8-18,20-21,29,31,35H,19H2,1-7H3;7-19,34H,6,20H2,1-5H3
InChIKeyFKMPYZJMVUIYHY-UHFFFAOYSA-N
XLogP38.45
TPSA628.38 Ų
H-Bond Donors4
H-Bond Acceptors38
Rotatable Bonds52
Heavy Atoms258
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003716.78
LogP ≤ 538.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1038

Analyze 4,4-dimethyl-2-(4-methylsulfonylphenyl)-1-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]pentan-3-ol;ethyl 2-hydroxy-2-(4-methylsulfonylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propanoate;1-(4-fluorophenyl)-2-methyl-2-(4-methylsulfonylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propan-1-one;2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-4-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]butan-2-ol;1-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propan-1-ol;2,4,4-trimethyl-2-(4-methylsulfonylphenyl)-1-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]pentan-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-(4-methylsulfonylphenyl)-1-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]pentan-3-ol;ethyl 2-hydroxy-2-(4-methylsulfonylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propanoate;1-(4-fluorophenyl)-2-methyl-2-(4-methylsulfonylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propan-1-one;2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-4-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]butan-2-ol;1-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propan-1-ol;2,4,4-trimethyl-2-(4-methylsulfonylphenyl)-1-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]pentan-3-one?
The IUPAC name of 4,4-dimethyl-2-(4-methylsulfonylphenyl)-1-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]pentan-3-ol;ethyl 2-hydroxy-2-(4-methylsulfonylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propanoate;1-(4-fluorophenyl)-2-methyl-2-(4-methylsulfonylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propan-1-one;2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-4-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]butan-2-ol;1-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propan-1-ol;2,4,4-trimethyl-2-(4-methylsulfonylphenyl)-1-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]pentan-3-one (CID 158059791) is 4,4-dimethyl-2-(4-methylsulfonylphenyl)-1-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]pentan-3-ol;ethyl 2-hydroxy-2-(4-methylsulfonylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propanoate;1-(4-fluorophenyl)-2-methyl-2-(4-methylsulfonylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propan-1-one;2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-4-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]butan-2-ol;1-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propan-1-ol;2,4,4-trimethyl-2-(4-methylsulfonylphenyl)-1-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]pentan-3-one.
What is the SMILES notation for 4,4-dimethyl-2-(4-methylsulfonylphenyl)-1-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]pentan-3-ol;ethyl 2-hydroxy-2-(4-methylsulfonylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propanoate;1-(4-fluorophenyl)-2-methyl-2-(4-methylsulfonylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propan-1-one;2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-4-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]butan-2-ol;1-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propan-1-ol;2,4,4-trimethyl-2-(4-methylsulfonylphenyl)-1-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]pentan-3-one?
The canonical SMILES for 4,4-dimethyl-2-(4-methylsulfonylphenyl)-1-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]pentan-3-ol;ethyl 2-hydroxy-2-(4-methylsulfonylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propanoate;1-(4-fluorophenyl)-2-methyl-2-(4-methylsulfonylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propan-1-one;2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-4-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]butan-2-ol;1-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propan-1-ol;2,4,4-trimethyl-2-(4-methylsulfonylphenyl)-1-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]pentan-3-one is CC(C)(C)C(=O)C(C)(Cc1cccc(-c2cc(C(C)(C)S(C)(=O)=O)cc3cccnc23)c1)c1ccc(S(C)(=O)=O)cc1.CC(C)(C)C(O)C(Cc1cccc(-c2cc(C(C)(C)S(C)(=O)=O)cc3cccnc23)c1)c1ccc(S(C)(=O)=O)cc1.CC(C)(c1cc(-c2cccc(CC(c3ccc(S(C)(=O)=O)cc3)C(O)c3ccc(F)cc3)c2)c2ncccc2c1)S(C)(=O)=O.CC(Cc1cccc(-c2cc(C(C)(C)S(C)(=O)=O)cc3cccnc23)c1)(C(=O)c1ccc(F)cc1)c1ccc(S(C)(=O)=O)cc1.CC(O)(c1ccc(F)cc1)C(Cc1cccc(-c2cc(C(C)(C)S(C)(=O)=O)cc3cccnc23)c1)c1ccc(S(C)(=O)=O)cc1.CCOC(=O)C(O)(Cc1cccc(-c2cc(C(C)(C)S(C)(=O)=O)cc3cccnc23)c1)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 4,4-dimethyl-2-(4-methylsulfonylphenyl)-1-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]pentan-3-ol;ethyl 2-hydroxy-2-(4-methylsulfonylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propanoate;1-(4-fluorophenyl)-2-methyl-2-(4-methylsulfonylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propan-1-one;2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-4-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]butan-2-ol;1-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propan-1-ol;2,4,4-trimethyl-2-(4-methylsulfonylphenyl)-1-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]pentan-3-one?
The InChIKey is FKMPYZJMVUIYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H36FNO5S2.C36H34FNO5S2.C35H34FNO5S2.C34H39NO5S2.C33H39NO5S2.C31H33NO7S2/c1-35(2,45(5,42)43)29-22-27-10-7-19-38-34(27)32(23-29)26-9-6-8-24(20-26)21-33(25-11-17-31(18-12-25)44(4,40)41)36(3,39)28-13-15-30(37)16-14-28;1-35(2,45(5,42)43)29-21-27-10-7-19-38-33(27)32(22-29)26-9-6-8-24(20-26)23-36(3,34(39)25-11-15-30(37)16-12-25)28-13-17-31(18-14-28)44(4,40)41;1-35(2,44(4,41)42)28-21-27-9-6-18-37-33(27)31(22-28)26-8-5-7-23(19-26)20-32(34(38)25-10-14-29(36)15-11-25)24-12-16-30(17-13-24)43(3,39)40;1-32(2,3)31(36)34(6,26-14-16-28(17-15-26)41(7,37)38)22-23-11-9-12-24(19-23)29-21-27(33(4,5)42(8,39)40)20-25-13-10-18-35-30(25)29;1-32(2,3)31(35)29(23-13-15-27(16-14-23)40(6,36)37)19-22-10-8-11-24(18-22)28-21-26(33(4,5)41(7,38)39)20-25-12-9-17-34-30(25)28;1-6-39-29(33)31(34,24-12-14-26(15-13-24)40(4,35)36)20-21-9-7-10-22(17-21)27-19-25(30(2,3)41(5,37)38)18-23-11-8-16-32-28(23)27/h6-20,22-23,33,39H,21H2,1-5H3;6-22H,23H2,1-5H3;5-19,21-22,32,34,38H,20H2,1-4H3;9-21H,22H2,1-8H3;8-18,20-21,29,31,35H,19H2,1-7H3;7-19,34H,6,20H2,1-5H3.
What are the key properties of 4,4-dimethyl-2-(4-methylsulfonylphenyl)-1-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]pentan-3-ol;ethyl 2-hydroxy-2-(4-methylsulfonylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propanoate;1-(4-fluorophenyl)-2-methyl-2-(4-methylsulfonylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propan-1-one;2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-4-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]butan-2-ol;1-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propan-1-ol;2,4,4-trimethyl-2-(4-methylsulfonylphenyl)-1-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]pentan-3-one?
4,4-dimethyl-2-(4-methylsulfonylphenyl)-1-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]pentan-3-ol;ethyl 2-hydroxy-2-(4-methylsulfonylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propanoate;1-(4-fluorophenyl)-2-methyl-2-(4-methylsulfonylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propan-1-one;2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-4-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]butan-2-ol;1-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propan-1-ol;2,4,4-trimethyl-2-(4-methylsulfonylphenyl)-1-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]pentan-3-one has a molecular weight of 3716.78 g/mol, XLogP of 38.45, 52 rotatable bonds, 4 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-(4-methylsulfonylphenyl)-1-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]pentan-3-ol;ethyl 2-hydroxy-2-(4-methylsulfonylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propanoate;1-(4-fluorophenyl)-2-methyl-2-(4-methylsulfonylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propan-1-one;2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-4-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]butan-2-ol;1-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propan-1-ol;2,4,4-trimethyl-2-(4-methylsulfonylphenyl)-1-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]pentan-3-one is sourced from PubChem (CID 158059791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).