[4-[4-[4-(1H-benzimidazol-2-ylmethoxy)-3-methylsulfonyloxyphenyl]-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-4-[4-[[1-(4-methylphenyl)sulfonylpyrrol-2-yl]methoxy]-3-methylsulfonyloxyphenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,5-dimethyl-4-[4-(3-methylbut-2-enoxy)-3-methylsulfonyloxyphenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethyl-4-(3-methylsulfonyloxy-4-phenylmethoxyphenyl)phenyl]phenyl] methanesulfonate;3-hydroxy-5-[2-hydroxy-4-(4-hydroxyphenyl)-3,6-dimethoxyphenyl]-2-(4-methylpent-3-enoxy)benzoic acid;3-hydroxy-5-[2-hydroxy-4-(4-hydroxyphenyl)-3,6-dimethoxyphenyl]-2-(pyridin-2-ylmethoxy)benzoic acid;5-[4-(4-hydroxyphenyl)-2,5-dimethylphenyl]-2-(3-methylbut-2-enoxy)phenol;methyl 5-[3,6-dimethoxy-2-methylsulfonyloxy-4-(4-methylsulfonyloxyphenyl)phenyl]-2-(4-methylpent-3-enoxy)-3-methylsulfonyloxybenzoate;methyl 5-[3,6-dimethoxy-2-methylsulfonyloxy-4-(4-methylsulfonyloxyphenyl)phenyl]-3-methylsulfonyloxy-2-(pyridin-2-ylmethoxy)benzoate

C263H267N5O87S17 — CID 162097992

IUPAC[4-[4-[4-(1H-benzimidazol-2-ylmethoxy)-3-methylsulfonyloxyphenyl]-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-4-[4-[[1-(4-methylphenyl)sulfonylpyrrol-2-yl]methoxy]-3-methylsulfonyloxyphenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,5-dimethyl-4-[4-(3-methylbut-2-enoxy)-3-methylsulfonyloxyphenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethyl-4-(3-methylsulfonyloxy-4-phenylmethoxyphenyl)phenyl]phenyl] methanesulfonate;3-hydroxy-5-[2-hydroxy-4-(4-hydroxyphenyl)-3,6-dimethoxyphenyl]-2-(4-methylpent-3-enoxy)benzoic acid;3-hydroxy-5-[2-hydroxy-4-(4-hydroxyphenyl)-3,6-dimethoxyphenyl]-2-(pyridin-2-ylmethoxy)benzoic acid;5-[4-(4-hydroxyphenyl)-2,5-dimethylphenyl]-2-(3-methylbut-2-enoxy)phenol;methyl 5-[3,6-dimethoxy-2-methylsulfonyloxy-4-(4-methylsulfonyloxyphenyl)phenyl]-2-(4-methylpent-3-enoxy)-3-methylsulfonyloxybenzoate;methyl 5-[3,6-dimethoxy-2-methylsulfonyloxy-4-(4-methylsulfonyloxyphenyl)phenyl]-3-methylsulfonyloxy-2-(pyridin-2-ylmethoxy)benzoate
SMILESCC(C)=CCOc1ccc(-c2cc(C)c(-c3ccc(O)cc3)cc2C)cc1O.CC(C)=CCOc1ccc(-c2cc(C)c(-c3ccc(OS(C)(=O)=O)cc3)cc2C)cc1OS(C)(=O)=O.COC(=O)c1cc(-c2c(OC)cc(-c3ccc(OS(C)(=O)=O)cc3)c(OC)c2OS(C)(=O)=O)cc(OS(C)(=O)=O)c1OCCC=C(C)C.COC(=O)c1cc(-c2c(OC)cc(-c3ccc(OS(C)(=O)=O)cc3)c(OC)c2OS(C)(=O)=O)cc(OS(C)(=O)=O)c1OCc1ccccn1.COc1cc(-c2ccc(O)cc2)c(OC)c(O)c1-c1cc(O)c(OCCC=C(C)C)c(C(=O)O)c1.COc1cc(-c2ccc(O)cc2)c(OC)c(O)c1-c1cc(O)c(OCc2ccccn2)c(C(=O)O)c1.COc1cc(-c2ccc(OS(C)(=O)=O)cc2)c(OC)c(OS(C)(=O)=O)c1-c1ccc(OCc2cccn2S(=O)(=O)c2ccc(C)cc2)c(OS(C)(=O)=O)c1.COc1cc(-c2ccc(OS(C)(=O)=O)cc2)c(OC)c(OS(C)(=O)=O)c1-c1ccc(OCc2nc3ccccc3[nH]2)c(OS(C)(=O)=O)c1.Cc1cc(-c2ccc(OCc3ccccc3)c(OS(C)(=O)=O)c2)c(C)cc1-c1ccc(OS(C)(=O)=O)cc1
InChIInChI=1S/C35H35NO14S4.C31H30N2O12S3.C31H31NO14S3.C31H36O14S3.C29H28O7S2.C27H23NO8.C27H28O8.C27H30O7S2.C25H26O3/c1-23-9-16-28(17-10-23)54(43,44)36-19-7-8-26(36)22-47-30-18-13-25(20-31(30)49-52(5,39)40)33-32(45-2)21-29(34(46-3)35(33)50-53(6,41)42)24-11-14-27(15-12-24)48-51(4,37)38;1-40-27-17-22(19-10-13-21(14-11-19)43-46(3,34)35)30(41-2)31(45-48(5,38)39)29(27)20-12-15-25(26(16-20)44-47(4,36)37)42-18-28-32-23-8-6-7-9-24(23)33-28;1-40-25-17-23(19-10-12-22(13-11-19)44-47(4,34)35)29(41-2)30(46-49(6,38)39)27(25)20-15-24(31(33)42-3)28(26(16-20)45-48(5,36)37)43-18-21-9-7-8-14-32-21;1-19(2)10-9-15-42-28-24(31(32)41-5)16-21(17-26(28)44-47(7,35)36)27-25(39-3)18-23(29(40-4)30(27)45-48(8,37)38)20-11-13-22(14-12-20)43-46(6,33)34;1-20-17-27(21(2)16-26(20)23-10-13-25(14-11-23)35-37(3,30)31)24-12-15-28(29(18-24)36-38(4,32)33)34-19-22-8-6-5-7-9-22;1-34-22-13-19(15-6-8-18(29)9-7-15)26(35-2)24(31)23(22)16-11-20(27(32)33)25(21(30)12-16)36-14-17-5-3-4-10-28-17;1-15(2)6-5-11-35-25-20(27(31)32)12-17(13-21(25)29)23-22(33-3)14-19(26(34-4)24(23)30)16-7-9-18(28)10-8-16;1-18(2)13-14-32-26-12-9-22(17-27(26)34-36(6,30)31)25-16-19(3)24(15-20(25)4)21-7-10-23(11-8-21)33-35(5,28)29;1-16(2)11-12-28-25-10-7-20(15-24(25)27)23-14-17(3)22(13-18(23)4)19-5-8-21(26)9-6-19/h7-21H,22H2,1-6H3;6-17H,18H2,1-5H3,(H,32,33);7-17H,18H2,1-6H3;10-14,16-18H,9,15H2,1-8H3;5-18H,19H2,1-4H3;3-13,29-31H,14H2,1-2H3,(H,32,33);6-10,12-14,28-30H,5,11H2,1-4H3,(H,31,32);7-13,15-17H,14H2,1-6H3;5-11,13-15,26-27H,12H2,1-4H3
InChIKeyZEMUCXPMWPRFJI-UHFFFAOYSA-N
MW5435.12 g/mol
LogP46.24
Rot. Bonds97

About [4-[4-[4-(1H-benzimidazol-2-ylmethoxy)-3-methylsulfonyloxyphenyl]-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-4-[4-[[1-(4-methylphenyl)sulfonylpyrrol-2-yl]methoxy]-3-methylsulfonyloxyphenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,5-dimethyl-4-[4-(3-methylbut-2-enoxy)-3-methylsulfonyloxyphenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethyl-4-(3-methylsulfonyloxy-4-phenylmethoxyphenyl)phenyl]phenyl] methanesulfonate;3-hydroxy-5-[2-hydroxy-4-(4-hydroxyphenyl)-3,6-dimethoxyphenyl]-2-(4-methylpent-3-enoxy)benzoic acid;3-hydroxy-5-[2-hydroxy-4-(4-hydroxyphenyl)-3,6-dimethoxyphenyl]-2-(pyridin-2-ylmethoxy)benzoic acid;5-[4-(4-hydroxyphenyl)-2,5-dimethylphenyl]-2-(3-methylbut-2-enoxy)phenol;methyl 5-[3,6-dimethoxy-2-methylsulfonyloxy-4-(4-methylsulfonyloxyphenyl)phenyl]-2-(4-methylpent-3-enoxy)-3-methylsulfonyloxybenzoate;methyl 5-[3,6-dimethoxy-2-methylsulfonyloxy-4-(4-methylsulfonyloxyphenyl)phenyl]-3-methylsulfonyloxy-2-(pyridin-2-ylmethoxy)benzoate

[4-[4-[4-(1H-benzimidazol-2-ylmethoxy)-3-methylsulfonyloxyphenyl]-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-4-[4-[[1-(4-methylphenyl)sulfonylpyrrol-2-yl]methoxy]-3-methylsulfonyloxyphenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,5-dimethyl-4-[4-(3-methylbut-2-enoxy)-3-methylsulfonyloxyphenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethyl-4-(3-methylsulfonyloxy-4-phenylmethoxyphenyl)phenyl]phenyl] methanesulfonate;3-hydroxy-5-[2-hydroxy-4-(4-hydroxyphenyl)-3,6-dimethoxyphenyl]-2-(4-methylpent-3-enoxy)benzoic acid;3-hydroxy-5-[2-hydroxy-4-(4-hydroxyphenyl)-3,6-dimethoxyphenyl]-2-(pyridin-2-ylmethoxy)benzoic acid;5-[4-(4-hydroxyphenyl)-2,5-dimethylphenyl]-2-(3-methylbut-2-enoxy)phenol;methyl 5-[3,6-dimethoxy-2-methylsulfonyloxy-4-(4-methylsulfonyloxyphenyl)phenyl]-2-(4-methylpent-3-enoxy)-3-methylsulfonyloxybenzoate;methyl 5-[3,6-dimethoxy-2-methylsulfonyloxy-4-(4-methylsulfonyloxyphenyl)phenyl]-3-methylsulfonyloxy-2-(pyridin-2-ylmethoxy)benzoate (PubChem CID 162097992) has the molecular formula C263H267N5O87S17 and a molecular weight of 5435.12 g/mol. Its IUPAC name is [4-[4-[4-(1H-benzimidazol-2-ylmethoxy)-3-methylsulfonyloxyphenyl]-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-4-[4-[[1-(4-methylphenyl)sulfonylpyrrol-2-yl]methoxy]-3-methylsulfonyloxyphenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,5-dimethyl-4-[4-(3-methylbut-2-enoxy)-3-methylsulfonyloxyphenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethyl-4-(3-methylsulfonyloxy-4-phenylmethoxyphenyl)phenyl]phenyl] methanesulfonate;3-hydroxy-5-[2-hydroxy-4-(4-hydroxyphenyl)-3,6-dimethoxyphenyl]-2-(4-methylpent-3-enoxy)benzoic acid;3-hydroxy-5-[2-hydroxy-4-(4-hydroxyphenyl)-3,6-dimethoxyphenyl]-2-(pyridin-2-ylmethoxy)benzoic acid;5-[4-(4-hydroxyphenyl)-2,5-dimethylphenyl]-2-(3-methylbut-2-enoxy)phenol;methyl 5-[3,6-dimethoxy-2-methylsulfonyloxy-4-(4-methylsulfonyloxyphenyl)phenyl]-2-(4-methylpent-3-enoxy)-3-methylsulfonyloxybenzoate;methyl 5-[3,6-dimethoxy-2-methylsulfonyloxy-4-(4-methylsulfonyloxyphenyl)phenyl]-3-methylsulfonyloxy-2-(pyridin-2-ylmethoxy)benzoate.

Molecular Properties

Compound Name[4-[4-[4-(1H-benzimidazol-2-ylmethoxy)-3-methylsulfonyloxyphenyl]-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-4-[4-[[1-(4-methylphenyl)sulfonylpyrrol-2-yl]methoxy]-3-methylsulfonyloxyphenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,5-dimethyl-4-[4-(3-methylbut-2-enoxy)-3-methylsulfonyloxyphenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethyl-4-(3-methylsulfonyloxy-4-phenylmethoxyphenyl)phenyl]phenyl] methanesulfonate;3-hydroxy-5-[2-hydroxy-4-(4-hydroxyphenyl)-3,6-dimethoxyphenyl]-2-(4-methylpent-3-enoxy)benzoic acid;3-hydroxy-5-[2-hydroxy-4-(4-hydroxyphenyl)-3,6-dimethoxyphenyl]-2-(pyridin-2-ylmethoxy)benzoic acid;5-[4-(4-hydroxyphenyl)-2,5-dimethylphenyl]-2-(3-methylbut-2-enoxy)phenol;methyl 5-[3,6-dimethoxy-2-methylsulfonyloxy-4-(4-methylsulfonyloxyphenyl)phenyl]-2-(4-methylpent-3-enoxy)-3-methylsulfonyloxybenzoate;methyl 5-[3,6-dimethoxy-2-methylsulfonyloxy-4-(4-methylsulfonyloxyphenyl)phenyl]-3-methylsulfonyloxy-2-(pyridin-2-ylmethoxy)benzoate
PubChem CID162097992
Molecular FormulaC263H267N5O87S17
Molecular Weight5435.12 g/mol
Exact Mass5430.19
IUPAC Name[4-[4-[4-(1H-benzimidazol-2-ylmethoxy)-3-methylsulfonyloxyphenyl]-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-4-[4-[[1-(4-methylphenyl)sulfonylpyrrol-2-yl]methoxy]-3-methylsulfonyloxyphenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,5-dimethyl-4-[4-(3-methylbut-2-enoxy)-3-methylsulfonyloxyphenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethyl-4-(3-methylsulfonyloxy-4-phenylmethoxyphenyl)phenyl]phenyl] methanesulfonate;3-hydroxy-5-[2-hydroxy-4-(4-hydroxyphenyl)-3,6-dimethoxyphenyl]-2-(4-methylpent-3-enoxy)benzoic acid;3-hydroxy-5-[2-hydroxy-4-(4-hydroxyphenyl)-3,6-dimethoxyphenyl]-2-(pyridin-2-ylmethoxy)benzoic acid;5-[4-(4-hydroxyphenyl)-2,5-dimethylphenyl]-2-(3-methylbut-2-enoxy)phenol;methyl 5-[3,6-dimethoxy-2-methylsulfonyloxy-4-(4-methylsulfonyloxyphenyl)phenyl]-2-(4-methylpent-3-enoxy)-3-methylsulfonyloxybenzoate;methyl 5-[3,6-dimethoxy-2-methylsulfonyloxy-4-(4-methylsulfonyloxyphenyl)phenyl]-3-methylsulfonyloxy-2-(pyridin-2-ylmethoxy)benzoate
SMILESCC(C)=CCOc1ccc(-c2cc(C)c(-c3ccc(O)cc3)cc2C)cc1O.CC(C)=CCOc1ccc(-c2cc(C)c(-c3ccc(OS(C)(=O)=O)cc3)cc2C)cc1OS(C)(=O)=O.COC(=O)c1cc(-c2c(OC)cc(-c3ccc(OS(C)(=O)=O)cc3)c(OC)c2OS(C)(=O)=O)cc(OS(C)(=O)=O)c1OCCC=C(C)C.COC(=O)c1cc(-c2c(OC)cc(-c3ccc(OS(C)(=O)=O)cc3)c(OC)c2OS(C)(=O)=O)cc(OS(C)(=O)=O)c1OCc1ccccn1.COc1cc(-c2ccc(O)cc2)c(OC)c(O)c1-c1cc(O)c(OCCC=C(C)C)c(C(=O)O)c1.COc1cc(-c2ccc(O)cc2)c(OC)c(O)c1-c1cc(O)c(OCc2ccccn2)c(C(=O)O)c1.COc1cc(-c2ccc(OS(C)(=O)=O)cc2)c(OC)c(OS(C)(=O)=O)c1-c1ccc(OCc2cccn2S(=O)(=O)c2ccc(C)cc2)c(OS(C)(=O)=O)c1.COc1cc(-c2ccc(OS(C)(=O)=O)cc2)c(OC)c(OS(C)(=O)=O)c1-c1ccc(OCc2nc3ccccc3[nH]2)c(OS(C)(=O)=O)c1.Cc1cc(-c2ccc(OCc3ccccc3)c(OS(C)(=O)=O)c2)c(C)cc1-c1ccc(OS(C)(=O)=O)cc1
InChIInChI=1S/C35H35NO14S4.C31H30N2O12S3.C31H31NO14S3.C31H36O14S3.C29H28O7S2.C27H23NO8.C27H28O8.C27H30O7S2.C25H26O3/c1-23-9-16-28(17-10-23)54(43,44)36-19-7-8-26(36)22-47-30-18-13-25(20-31(30)49-52(5,39)40)33-32(45-2)21-29(34(46-3)35(33)50-53(6,41)42)24-11-14-27(15-12-24)48-51(4,37)38;1-40-27-17-22(19-10-13-21(14-11-19)43-46(3,34)35)30(41-2)31(45-48(5,38)39)29(27)20-12-15-25(26(16-20)44-47(4,36)37)42-18-28-32-23-8-6-7-9-24(23)33-28;1-40-25-17-23(19-10-12-22(13-11-19)44-47(4,34)35)29(41-2)30(46-49(6,38)39)27(25)20-15-24(31(33)42-3)28(26(16-20)45-48(5,36)37)43-18-21-9-7-8-14-32-21;1-19(2)10-9-15-42-28-24(31(32)41-5)16-21(17-26(28)44-47(7,35)36)27-25(39-3)18-23(29(40-4)30(27)45-48(8,37)38)20-11-13-22(14-12-20)43-46(6,33)34;1-20-17-27(21(2)16-26(20)23-10-13-25(14-11-23)35-37(3,30)31)24-12-15-28(29(18-24)36-38(4,32)33)34-19-22-8-6-5-7-9-22;1-34-22-13-19(15-6-8-18(29)9-7-15)26(35-2)24(31)23(22)16-11-20(27(32)33)25(21(30)12-16)36-14-17-5-3-4-10-28-17;1-15(2)6-5-11-35-25-20(27(31)32)12-17(13-21(25)29)23-22(33-3)14-19(26(34-4)24(23)30)16-7-9-18(28)10-8-16;1-18(2)13-14-32-26-12-9-22(17-27(26)34-36(6,30)31)25-16-19(3)24(15-20(25)4)21-7-10-23(11-8-21)33-35(5,28)29;1-16(2)11-12-28-25-10-7-20(15-24(25)27)23-14-17(3)22(13-18(23)4)19-5-8-21(26)9-6-19/h7-21H,22H2,1-6H3;6-17H,18H2,1-5H3,(H,32,33);7-17H,18H2,1-6H3;10-14,16-18H,9,15H2,1-8H3;5-18H,19H2,1-4H3;3-13,29-31H,14H2,1-2H3,(H,32,33);6-10,12-14,28-30H,5,11H2,1-4H3,(H,31,32);7-13,15-17H,14H2,1-6H3;5-11,13-15,26-27H,12H2,1-4H3
InChIKeyZEMUCXPMWPRFJI-UHFFFAOYSA-N
XLogP46.24
TPSA1270.32 Ų
H-Bond Donors11
H-Bond Acceptors89
Rotatable Bonds97
Heavy Atoms372
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005435.12
LogP ≤ 546.24
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1089

Analyze [4-[4-[4-(1H-benzimidazol-2-ylmethoxy)-3-methylsulfonyloxyphenyl]-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-4-[4-[[1-(4-methylphenyl)sulfonylpyrrol-2-yl]methoxy]-3-methylsulfonyloxyphenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,5-dimethyl-4-[4-(3-methylbut-2-enoxy)-3-methylsulfonyloxyphenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethyl-4-(3-methylsulfonyloxy-4-phenylmethoxyphenyl)phenyl]phenyl] methanesulfonate;3-hydroxy-5-[2-hydroxy-4-(4-hydroxyphenyl)-3,6-dimethoxyphenyl]-2-(4-methylpent-3-enoxy)benzoic acid;3-hydroxy-5-[2-hydroxy-4-(4-hydroxyphenyl)-3,6-dimethoxyphenyl]-2-(pyridin-2-ylmethoxy)benzoic acid;5-[4-(4-hydroxyphenyl)-2,5-dimethylphenyl]-2-(3-methylbut-2-enoxy)phenol;methyl 5-[3,6-dimethoxy-2-methylsulfonyloxy-4-(4-methylsulfonyloxyphenyl)phenyl]-2-(4-methylpent-3-enoxy)-3-methylsulfonyloxybenzoate;methyl 5-[3,6-dimethoxy-2-methylsulfonyloxy-4-(4-methylsulfonyloxyphenyl)phenyl]-3-methylsulfonyloxy-2-(pyridin-2-ylmethoxy)benzoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-[4-[4-(1H-benzimidazol-2-ylmethoxy)-3-methylsulfonyloxyphenyl]-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-4-[4-[[1-(4-methylphenyl)sulfonylpyrrol-2-yl]methoxy]-3-methylsulfonyloxyphenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,5-dimethyl-4-[4-(3-methylbut-2-enoxy)-3-methylsulfonyloxyphenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethyl-4-(3-methylsulfonyloxy-4-phenylmethoxyphenyl)phenyl]phenyl] methanesulfonate;3-hydroxy-5-[2-hydroxy-4-(4-hydroxyphenyl)-3,6-dimethoxyphenyl]-2-(4-methylpent-3-enoxy)benzoic acid;3-hydroxy-5-[2-hydroxy-4-(4-hydroxyphenyl)-3,6-dimethoxyphenyl]-2-(pyridin-2-ylmethoxy)benzoic acid;5-[4-(4-hydroxyphenyl)-2,5-dimethylphenyl]-2-(3-methylbut-2-enoxy)phenol;methyl 5-[3,6-dimethoxy-2-methylsulfonyloxy-4-(4-methylsulfonyloxyphenyl)phenyl]-2-(4-methylpent-3-enoxy)-3-methylsulfonyloxybenzoate;methyl 5-[3,6-dimethoxy-2-methylsulfonyloxy-4-(4-methylsulfonyloxyphenyl)phenyl]-3-methylsulfonyloxy-2-(pyridin-2-ylmethoxy)benzoate?
The IUPAC name of [4-[4-[4-(1H-benzimidazol-2-ylmethoxy)-3-methylsulfonyloxyphenyl]-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-4-[4-[[1-(4-methylphenyl)sulfonylpyrrol-2-yl]methoxy]-3-methylsulfonyloxyphenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,5-dimethyl-4-[4-(3-methylbut-2-enoxy)-3-methylsulfonyloxyphenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethyl-4-(3-methylsulfonyloxy-4-phenylmethoxyphenyl)phenyl]phenyl] methanesulfonate;3-hydroxy-5-[2-hydroxy-4-(4-hydroxyphenyl)-3,6-dimethoxyphenyl]-2-(4-methylpent-3-enoxy)benzoic acid;3-hydroxy-5-[2-hydroxy-4-(4-hydroxyphenyl)-3,6-dimethoxyphenyl]-2-(pyridin-2-ylmethoxy)benzoic acid;5-[4-(4-hydroxyphenyl)-2,5-dimethylphenyl]-2-(3-methylbut-2-enoxy)phenol;methyl 5-[3,6-dimethoxy-2-methylsulfonyloxy-4-(4-methylsulfonyloxyphenyl)phenyl]-2-(4-methylpent-3-enoxy)-3-methylsulfonyloxybenzoate;methyl 5-[3,6-dimethoxy-2-methylsulfonyloxy-4-(4-methylsulfonyloxyphenyl)phenyl]-3-methylsulfonyloxy-2-(pyridin-2-ylmethoxy)benzoate (CID 162097992) is [4-[4-[4-(1H-benzimidazol-2-ylmethoxy)-3-methylsulfonyloxyphenyl]-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-4-[4-[[1-(4-methylphenyl)sulfonylpyrrol-2-yl]methoxy]-3-methylsulfonyloxyphenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,5-dimethyl-4-[4-(3-methylbut-2-enoxy)-3-methylsulfonyloxyphenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethyl-4-(3-methylsulfonyloxy-4-phenylmethoxyphenyl)phenyl]phenyl] methanesulfonate;3-hydroxy-5-[2-hydroxy-4-(4-hydroxyphenyl)-3,6-dimethoxyphenyl]-2-(4-methylpent-3-enoxy)benzoic acid;3-hydroxy-5-[2-hydroxy-4-(4-hydroxyphenyl)-3,6-dimethoxyphenyl]-2-(pyridin-2-ylmethoxy)benzoic acid;5-[4-(4-hydroxyphenyl)-2,5-dimethylphenyl]-2-(3-methylbut-2-enoxy)phenol;methyl 5-[3,6-dimethoxy-2-methylsulfonyloxy-4-(4-methylsulfonyloxyphenyl)phenyl]-2-(4-methylpent-3-enoxy)-3-methylsulfonyloxybenzoate;methyl 5-[3,6-dimethoxy-2-methylsulfonyloxy-4-(4-methylsulfonyloxyphenyl)phenyl]-3-methylsulfonyloxy-2-(pyridin-2-ylmethoxy)benzoate.
What is the SMILES notation for [4-[4-[4-(1H-benzimidazol-2-ylmethoxy)-3-methylsulfonyloxyphenyl]-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-4-[4-[[1-(4-methylphenyl)sulfonylpyrrol-2-yl]methoxy]-3-methylsulfonyloxyphenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,5-dimethyl-4-[4-(3-methylbut-2-enoxy)-3-methylsulfonyloxyphenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethyl-4-(3-methylsulfonyloxy-4-phenylmethoxyphenyl)phenyl]phenyl] methanesulfonate;3-hydroxy-5-[2-hydroxy-4-(4-hydroxyphenyl)-3,6-dimethoxyphenyl]-2-(4-methylpent-3-enoxy)benzoic acid;3-hydroxy-5-[2-hydroxy-4-(4-hydroxyphenyl)-3,6-dimethoxyphenyl]-2-(pyridin-2-ylmethoxy)benzoic acid;5-[4-(4-hydroxyphenyl)-2,5-dimethylphenyl]-2-(3-methylbut-2-enoxy)phenol;methyl 5-[3,6-dimethoxy-2-methylsulfonyloxy-4-(4-methylsulfonyloxyphenyl)phenyl]-2-(4-methylpent-3-enoxy)-3-methylsulfonyloxybenzoate;methyl 5-[3,6-dimethoxy-2-methylsulfonyloxy-4-(4-methylsulfonyloxyphenyl)phenyl]-3-methylsulfonyloxy-2-(pyridin-2-ylmethoxy)benzoate?
The canonical SMILES for [4-[4-[4-(1H-benzimidazol-2-ylmethoxy)-3-methylsulfonyloxyphenyl]-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-4-[4-[[1-(4-methylphenyl)sulfonylpyrrol-2-yl]methoxy]-3-methylsulfonyloxyphenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,5-dimethyl-4-[4-(3-methylbut-2-enoxy)-3-methylsulfonyloxyphenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethyl-4-(3-methylsulfonyloxy-4-phenylmethoxyphenyl)phenyl]phenyl] methanesulfonate;3-hydroxy-5-[2-hydroxy-4-(4-hydroxyphenyl)-3,6-dimethoxyphenyl]-2-(4-methylpent-3-enoxy)benzoic acid;3-hydroxy-5-[2-hydroxy-4-(4-hydroxyphenyl)-3,6-dimethoxyphenyl]-2-(pyridin-2-ylmethoxy)benzoic acid;5-[4-(4-hydroxyphenyl)-2,5-dimethylphenyl]-2-(3-methylbut-2-enoxy)phenol;methyl 5-[3,6-dimethoxy-2-methylsulfonyloxy-4-(4-methylsulfonyloxyphenyl)phenyl]-2-(4-methylpent-3-enoxy)-3-methylsulfonyloxybenzoate;methyl 5-[3,6-dimethoxy-2-methylsulfonyloxy-4-(4-methylsulfonyloxyphenyl)phenyl]-3-methylsulfonyloxy-2-(pyridin-2-ylmethoxy)benzoate is CC(C)=CCOc1ccc(-c2cc(C)c(-c3ccc(O)cc3)cc2C)cc1O.CC(C)=CCOc1ccc(-c2cc(C)c(-c3ccc(OS(C)(=O)=O)cc3)cc2C)cc1OS(C)(=O)=O.COC(=O)c1cc(-c2c(OC)cc(-c3ccc(OS(C)(=O)=O)cc3)c(OC)c2OS(C)(=O)=O)cc(OS(C)(=O)=O)c1OCCC=C(C)C.COC(=O)c1cc(-c2c(OC)cc(-c3ccc(OS(C)(=O)=O)cc3)c(OC)c2OS(C)(=O)=O)cc(OS(C)(=O)=O)c1OCc1ccccn1.COc1cc(-c2ccc(O)cc2)c(OC)c(O)c1-c1cc(O)c(OCCC=C(C)C)c(C(=O)O)c1.COc1cc(-c2ccc(O)cc2)c(OC)c(O)c1-c1cc(O)c(OCc2ccccn2)c(C(=O)O)c1.COc1cc(-c2ccc(OS(C)(=O)=O)cc2)c(OC)c(OS(C)(=O)=O)c1-c1ccc(OCc2cccn2S(=O)(=O)c2ccc(C)cc2)c(OS(C)(=O)=O)c1.COc1cc(-c2ccc(OS(C)(=O)=O)cc2)c(OC)c(OS(C)(=O)=O)c1-c1ccc(OCc2nc3ccccc3[nH]2)c(OS(C)(=O)=O)c1.Cc1cc(-c2ccc(OCc3ccccc3)c(OS(C)(=O)=O)c2)c(C)cc1-c1ccc(OS(C)(=O)=O)cc1.
What is the InChIKey of [4-[4-[4-(1H-benzimidazol-2-ylmethoxy)-3-methylsulfonyloxyphenyl]-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-4-[4-[[1-(4-methylphenyl)sulfonylpyrrol-2-yl]methoxy]-3-methylsulfonyloxyphenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,5-dimethyl-4-[4-(3-methylbut-2-enoxy)-3-methylsulfonyloxyphenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethyl-4-(3-methylsulfonyloxy-4-phenylmethoxyphenyl)phenyl]phenyl] methanesulfonate;3-hydroxy-5-[2-hydroxy-4-(4-hydroxyphenyl)-3,6-dimethoxyphenyl]-2-(4-methylpent-3-enoxy)benzoic acid;3-hydroxy-5-[2-hydroxy-4-(4-hydroxyphenyl)-3,6-dimethoxyphenyl]-2-(pyridin-2-ylmethoxy)benzoic acid;5-[4-(4-hydroxyphenyl)-2,5-dimethylphenyl]-2-(3-methylbut-2-enoxy)phenol;methyl 5-[3,6-dimethoxy-2-methylsulfonyloxy-4-(4-methylsulfonyloxyphenyl)phenyl]-2-(4-methylpent-3-enoxy)-3-methylsulfonyloxybenzoate;methyl 5-[3,6-dimethoxy-2-methylsulfonyloxy-4-(4-methylsulfonyloxyphenyl)phenyl]-3-methylsulfonyloxy-2-(pyridin-2-ylmethoxy)benzoate?
The InChIKey is ZEMUCXPMWPRFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H35NO14S4.C31H30N2O12S3.C31H31NO14S3.C31H36O14S3.C29H28O7S2.C27H23NO8.C27H28O8.C27H30O7S2.C25H26O3/c1-23-9-16-28(17-10-23)54(43,44)36-19-7-8-26(36)22-47-30-18-13-25(20-31(30)49-52(5,39)40)33-32(45-2)21-29(34(46-3)35(33)50-53(6,41)42)24-11-14-27(15-12-24)48-51(4,37)38;1-40-27-17-22(19-10-13-21(14-11-19)43-46(3,34)35)30(41-2)31(45-48(5,38)39)29(27)20-12-15-25(26(16-20)44-47(4,36)37)42-18-28-32-23-8-6-7-9-24(23)33-28;1-40-25-17-23(19-10-12-22(13-11-19)44-47(4,34)35)29(41-2)30(46-49(6,38)39)27(25)20-15-24(31(33)42-3)28(26(16-20)45-48(5,36)37)43-18-21-9-7-8-14-32-21;1-19(2)10-9-15-42-28-24(31(32)41-5)16-21(17-26(28)44-47(7,35)36)27-25(39-3)18-23(29(40-4)30(27)45-48(8,37)38)20-11-13-22(14-12-20)43-46(6,33)34;1-20-17-27(21(2)16-26(20)23-10-13-25(14-11-23)35-37(3,30)31)24-12-15-28(29(18-24)36-38(4,32)33)34-19-22-8-6-5-7-9-22;1-34-22-13-19(15-6-8-18(29)9-7-15)26(35-2)24(31)23(22)16-11-20(27(32)33)25(21(30)12-16)36-14-17-5-3-4-10-28-17;1-15(2)6-5-11-35-25-20(27(31)32)12-17(13-21(25)29)23-22(33-3)14-19(26(34-4)24(23)30)16-7-9-18(28)10-8-16;1-18(2)13-14-32-26-12-9-22(17-27(26)34-36(6,30)31)25-16-19(3)24(15-20(25)4)21-7-10-23(11-8-21)33-35(5,28)29;1-16(2)11-12-28-25-10-7-20(15-24(25)27)23-14-17(3)22(13-18(23)4)19-5-8-21(26)9-6-19/h7-21H,22H2,1-6H3;6-17H,18H2,1-5H3,(H,32,33);7-17H,18H2,1-6H3;10-14,16-18H,9,15H2,1-8H3;5-18H,19H2,1-4H3;3-13,29-31H,14H2,1-2H3,(H,32,33);6-10,12-14,28-30H,5,11H2,1-4H3,(H,31,32);7-13,15-17H,14H2,1-6H3;5-11,13-15,26-27H,12H2,1-4H3.
What are the key properties of [4-[4-[4-(1H-benzimidazol-2-ylmethoxy)-3-methylsulfonyloxyphenyl]-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-4-[4-[[1-(4-methylphenyl)sulfonylpyrrol-2-yl]methoxy]-3-methylsulfonyloxyphenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,5-dimethyl-4-[4-(3-methylbut-2-enoxy)-3-methylsulfonyloxyphenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethyl-4-(3-methylsulfonyloxy-4-phenylmethoxyphenyl)phenyl]phenyl] methanesulfonate;3-hydroxy-5-[2-hydroxy-4-(4-hydroxyphenyl)-3,6-dimethoxyphenyl]-2-(4-methylpent-3-enoxy)benzoic acid;3-hydroxy-5-[2-hydroxy-4-(4-hydroxyphenyl)-3,6-dimethoxyphenyl]-2-(pyridin-2-ylmethoxy)benzoic acid;5-[4-(4-hydroxyphenyl)-2,5-dimethylphenyl]-2-(3-methylbut-2-enoxy)phenol;methyl 5-[3,6-dimethoxy-2-methylsulfonyloxy-4-(4-methylsulfonyloxyphenyl)phenyl]-2-(4-methylpent-3-enoxy)-3-methylsulfonyloxybenzoate;methyl 5-[3,6-dimethoxy-2-methylsulfonyloxy-4-(4-methylsulfonyloxyphenyl)phenyl]-3-methylsulfonyloxy-2-(pyridin-2-ylmethoxy)benzoate?
[4-[4-[4-(1H-benzimidazol-2-ylmethoxy)-3-methylsulfonyloxyphenyl]-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-4-[4-[[1-(4-methylphenyl)sulfonylpyrrol-2-yl]methoxy]-3-methylsulfonyloxyphenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,5-dimethyl-4-[4-(3-methylbut-2-enoxy)-3-methylsulfonyloxyphenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethyl-4-(3-methylsulfonyloxy-4-phenylmethoxyphenyl)phenyl]phenyl] methanesulfonate;3-hydroxy-5-[2-hydroxy-4-(4-hydroxyphenyl)-3,6-dimethoxyphenyl]-2-(4-methylpent-3-enoxy)benzoic acid;3-hydroxy-5-[2-hydroxy-4-(4-hydroxyphenyl)-3,6-dimethoxyphenyl]-2-(pyridin-2-ylmethoxy)benzoic acid;5-[4-(4-hydroxyphenyl)-2,5-dimethylphenyl]-2-(3-methylbut-2-enoxy)phenol;methyl 5-[3,6-dimethoxy-2-methylsulfonyloxy-4-(4-methylsulfonyloxyphenyl)phenyl]-2-(4-methylpent-3-enoxy)-3-methylsulfonyloxybenzoate;methyl 5-[3,6-dimethoxy-2-methylsulfonyloxy-4-(4-methylsulfonyloxyphenyl)phenyl]-3-methylsulfonyloxy-2-(pyridin-2-ylmethoxy)benzoate has a molecular weight of 5435.12 g/mol, XLogP of 46.24, 97 rotatable bonds, 11 hydrogen bond donors, and 89 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[4-(1H-benzimidazol-2-ylmethoxy)-3-methylsulfonyloxyphenyl]-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-4-[4-[[1-(4-methylphenyl)sulfonylpyrrol-2-yl]methoxy]-3-methylsulfonyloxyphenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,5-dimethyl-4-[4-(3-methylbut-2-enoxy)-3-methylsulfonyloxyphenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethyl-4-(3-methylsulfonyloxy-4-phenylmethoxyphenyl)phenyl]phenyl] methanesulfonate;3-hydroxy-5-[2-hydroxy-4-(4-hydroxyphenyl)-3,6-dimethoxyphenyl]-2-(4-methylpent-3-enoxy)benzoic acid;3-hydroxy-5-[2-hydroxy-4-(4-hydroxyphenyl)-3,6-dimethoxyphenyl]-2-(pyridin-2-ylmethoxy)benzoic acid;5-[4-(4-hydroxyphenyl)-2,5-dimethylphenyl]-2-(3-methylbut-2-enoxy)phenol;methyl 5-[3,6-dimethoxy-2-methylsulfonyloxy-4-(4-methylsulfonyloxyphenyl)phenyl]-2-(4-methylpent-3-enoxy)-3-methylsulfonyloxybenzoate;methyl 5-[3,6-dimethoxy-2-methylsulfonyloxy-4-(4-methylsulfonyloxyphenyl)phenyl]-3-methylsulfonyloxy-2-(pyridin-2-ylmethoxy)benzoate is sourced from PubChem (CID 162097992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).