[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(naphthalen-2-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-[(4-propan-2-ylphenyl)methoxy]phenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(quinolin-2-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]phenyl]phenyl] methanesulfonate;[4-[4-[4-[(2,4-dimethylphenyl)methoxy]-3-methylsulfonyloxyphenyl]-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;ethyl N-[(E)-2-[2-hydroxy-4-[2-hydroxy-4-(4-hydroxyphenyl)-3,6-dimethoxyphenyl]phenoxy]ethylideneamino]carbamate

C188H188F3N3O68S15 — CID 172940837

IUPAC[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(naphthalen-2-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-[(4-propan-2-ylphenyl)methoxy]phenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(quinolin-2-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]phenyl]phenyl] methanesulfonate;[4-[4-[4-[(2,4-dimethylphenyl)methoxy]-3-methylsulfonyloxyphenyl]-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;ethyl N-[(E)-2-[2-hydroxy-4-[2-hydroxy-4-(4-hydroxyphenyl)-3,6-dimethoxyphenyl]phenoxy]ethylideneamino]carbamate
SMILESCCOC(=O)N/N=C/COc1ccc(-c2c(OC)cc(-c3ccc(O)cc3)c(OC)c2O)cc1O.COc1cc(-c2ccc(OS(C)(=O)=O)cc2)c(OC)c(OS(C)(=O)=O)c1-c1ccc(OCc2ccc(C(C)C)cc2)c(OS(C)(=O)=O)c1.COc1cc(-c2ccc(OS(C)(=O)=O)cc2)c(OC)c(OS(C)(=O)=O)c1-c1ccc(OCc2ccc(C(F)(F)F)cc2)c(OS(C)(=O)=O)c1.COc1cc(-c2ccc(OS(C)(=O)=O)cc2)c(OC)c(OS(C)(=O)=O)c1-c1ccc(OCc2ccc(C)cc2C)c(OS(C)(=O)=O)c1.COc1cc(-c2ccc(OS(C)(=O)=O)cc2)c(OC)c(OS(C)(=O)=O)c1-c1ccc(OCc2ccc3ccccc3c2)c(OS(C)(=O)=O)c1.COc1cc(-c2ccc(OS(C)(=O)=O)cc2)c(OC)c(OS(C)(=O)=O)c1-c1ccc(OCc2ccc3ccccc3n2)c(OS(C)(=O)=O)c1
InChIInChI=1S/C34H32O12S3.C33H31NO12S3.C33H36O12S3.C32H34O12S3.C31H29F3O12S3.C25H26N2O8/c1-41-31-20-28(24-12-15-27(16-13-24)44-47(3,35)36)33(42-2)34(46-49(5,39)40)32(31)26-14-17-29(30(19-26)45-48(4,37)38)43-21-22-10-11-23-8-6-7-9-25(23)18-22;1-41-30-19-26(21-11-15-25(16-12-21)44-47(3,35)36)32(42-2)33(46-49(5,39)40)31(30)23-13-17-28(29(18-23)45-48(4,37)38)43-20-24-14-10-22-8-6-7-9-27(22)34-24;1-21(2)23-10-8-22(9-11-23)20-42-28-17-14-25(18-29(28)44-47(6,36)37)31-30(40-3)19-27(32(41-4)33(31)45-48(7,38)39)24-12-15-26(16-13-24)43-46(5,34)35;1-20-8-9-24(21(2)16-20)19-41-27-15-12-23(17-28(27)43-46(6,35)36)30-29(39-3)18-26(31(40-4)32(30)44-47(7,37)38)22-10-13-25(14-11-22)42-45(5,33)34;1-41-27-17-24(20-8-13-23(14-9-20)44-47(3,35)36)29(42-2)30(46-49(5,39)40)28(27)21-10-15-25(26(16-21)45-48(4,37)38)43-18-19-6-11-22(12-7-19)31(32,33)34;1-4-34-25(31)27-26-11-12-35-20-10-7-16(13-19(20)29)22-21(32-2)14-18(24(33-3)23(22)30)15-5-8-17(28)9-6-15/h6-20H,21H2,1-5H3;6-19H,20H2,1-5H3;8-19,21H,20H2,1-7H3;8-18H,19H2,1-7H3;6-17H,18H2,1-5H3;5-11,13-14,28-30H,4,12H2,1-3H3,(H,27,31)/b;;;;;26-11+
InChIKeyZRTIWRDDYZLAJH-WXMUTOTCSA-N
MW4115.52 g/mol
LogP31.89
Rot. Bonds75

About [4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(naphthalen-2-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-[(4-propan-2-ylphenyl)methoxy]phenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(quinolin-2-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]phenyl]phenyl] methanesulfonate;[4-[4-[4-[(2,4-dimethylphenyl)methoxy]-3-methylsulfonyloxyphenyl]-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;ethyl N-[(E)-2-[2-hydroxy-4-[2-hydroxy-4-(4-hydroxyphenyl)-3,6-dimethoxyphenyl]phenoxy]ethylideneamino]carbamate

[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(naphthalen-2-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-[(4-propan-2-ylphenyl)methoxy]phenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(quinolin-2-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]phenyl]phenyl] methanesulfonate;[4-[4-[4-[(2,4-dimethylphenyl)methoxy]-3-methylsulfonyloxyphenyl]-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;ethyl N-[(E)-2-[2-hydroxy-4-[2-hydroxy-4-(4-hydroxyphenyl)-3,6-dimethoxyphenyl]phenoxy]ethylideneamino]carbamate (PubChem CID 172940837) has the molecular formula C188H188F3N3O68S15 and a molecular weight of 4115.52 g/mol. Its IUPAC name is [4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(naphthalen-2-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-[(4-propan-2-ylphenyl)methoxy]phenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(quinolin-2-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]phenyl]phenyl] methanesulfonate;[4-[4-[4-[(2,4-dimethylphenyl)methoxy]-3-methylsulfonyloxyphenyl]-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;ethyl N-[(E)-2-[2-hydroxy-4-[2-hydroxy-4-(4-hydroxyphenyl)-3,6-dimethoxyphenyl]phenoxy]ethylideneamino]carbamate.

Molecular Properties

Compound Name[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(naphthalen-2-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-[(4-propan-2-ylphenyl)methoxy]phenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(quinolin-2-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]phenyl]phenyl] methanesulfonate;[4-[4-[4-[(2,4-dimethylphenyl)methoxy]-3-methylsulfonyloxyphenyl]-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;ethyl N-[(E)-2-[2-hydroxy-4-[2-hydroxy-4-(4-hydroxyphenyl)-3,6-dimethoxyphenyl]phenoxy]ethylideneamino]carbamate
PubChem CID172940837
Molecular FormulaC188H188F3N3O68S15
Molecular Weight4115.52 g/mol
Exact Mass4111.71
IUPAC Name[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(naphthalen-2-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-[(4-propan-2-ylphenyl)methoxy]phenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(quinolin-2-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]phenyl]phenyl] methanesulfonate;[4-[4-[4-[(2,4-dimethylphenyl)methoxy]-3-methylsulfonyloxyphenyl]-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;ethyl N-[(E)-2-[2-hydroxy-4-[2-hydroxy-4-(4-hydroxyphenyl)-3,6-dimethoxyphenyl]phenoxy]ethylideneamino]carbamate
SMILESCCOC(=O)N/N=C/COc1ccc(-c2c(OC)cc(-c3ccc(O)cc3)c(OC)c2O)cc1O.COc1cc(-c2ccc(OS(C)(=O)=O)cc2)c(OC)c(OS(C)(=O)=O)c1-c1ccc(OCc2ccc(C(C)C)cc2)c(OS(C)(=O)=O)c1.COc1cc(-c2ccc(OS(C)(=O)=O)cc2)c(OC)c(OS(C)(=O)=O)c1-c1ccc(OCc2ccc(C(F)(F)F)cc2)c(OS(C)(=O)=O)c1.COc1cc(-c2ccc(OS(C)(=O)=O)cc2)c(OC)c(OS(C)(=O)=O)c1-c1ccc(OCc2ccc(C)cc2C)c(OS(C)(=O)=O)c1.COc1cc(-c2ccc(OS(C)(=O)=O)cc2)c(OC)c(OS(C)(=O)=O)c1-c1ccc(OCc2ccc3ccccc3c2)c(OS(C)(=O)=O)c1.COc1cc(-c2ccc(OS(C)(=O)=O)cc2)c(OC)c(OS(C)(=O)=O)c1-c1ccc(OCc2ccc3ccccc3n2)c(OS(C)(=O)=O)c1
InChIInChI=1S/C34H32O12S3.C33H31NO12S3.C33H36O12S3.C32H34O12S3.C31H29F3O12S3.C25H26N2O8/c1-41-31-20-28(24-12-15-27(16-13-24)44-47(3,35)36)33(42-2)34(46-49(5,39)40)32(31)26-14-17-29(30(19-26)45-48(4,37)38)43-21-22-10-11-23-8-6-7-9-25(23)18-22;1-41-30-19-26(21-11-15-25(16-12-21)44-47(3,35)36)32(42-2)33(46-49(5,39)40)31(30)23-13-17-28(29(18-23)45-48(4,37)38)43-20-24-14-10-22-8-6-7-9-27(22)34-24;1-21(2)23-10-8-22(9-11-23)20-42-28-17-14-25(18-29(28)44-47(6,36)37)31-30(40-3)19-27(32(41-4)33(31)45-48(7,38)39)24-12-15-26(16-13-24)43-46(5,34)35;1-20-8-9-24(21(2)16-20)19-41-27-15-12-23(17-28(27)43-46(6,35)36)30-29(39-3)18-26(31(40-4)32(30)44-47(7,37)38)22-10-13-25(14-11-22)42-45(5,33)34;1-41-27-17-24(20-8-13-23(14-9-20)44-47(3,35)36)29(42-2)30(46-49(5,39)40)28(27)21-10-15-25(26(16-21)45-48(4,37)38)43-18-19-6-11-22(12-7-19)31(32,33)34;1-4-34-25(31)27-26-11-12-35-20-10-7-16(13-19(20)29)22-21(32-2)14-18(24(33-3)23(22)30)15-5-8-17(28)9-6-15/h6-20H,21H2,1-5H3;6-19H,20H2,1-5H3;8-19,21H,20H2,1-7H3;8-18H,19H2,1-7H3;6-17H,18H2,1-5H3;5-11,13-14,28-30H,4,12H2,1-3H3,(H,27,31)/b;;;;;26-11+
InChIKeyZRTIWRDDYZLAJH-WXMUTOTCSA-N
XLogP31.89
TPSA940.96 Ų
H-Bond Donors4
H-Bond Acceptors70
Rotatable Bonds75
Heavy Atoms277
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004115.52
LogP ≤ 531.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1070

Analyze [4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(naphthalen-2-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-[(4-propan-2-ylphenyl)methoxy]phenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(quinolin-2-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]phenyl]phenyl] methanesulfonate;[4-[4-[4-[(2,4-dimethylphenyl)methoxy]-3-methylsulfonyloxyphenyl]-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;ethyl N-[(E)-2-[2-hydroxy-4-[2-hydroxy-4-(4-hydroxyphenyl)-3,6-dimethoxyphenyl]phenoxy]ethylideneamino]carbamate with MolForge

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Related Compounds

2-[4-[(2,4-Dimethylphenyl)methoxy]-3-hydroxyphenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;5-[2-(hydroxymethyl)-4-(4-hydroxyphenyl)-3,6-dimethoxyphenyl]-2-(4-methylpent-3-enyl)phenol;2-[3-hydroxy-4-(naphthalen-2-ylmethoxy)phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;5-(4-hydroxyphenyl)-2-[3-hydroxy-4-[(4-propan-2-ylphenyl)methoxy]phenyl]-3,6-dimethoxyphenol;5-(4-hydroxyphenyl)-2-[3-hydroxy-4-(quinolin-2-ylmethoxy)phenyl]-3,6-dimethoxyphenol;5-(4-hydroxyphenyl)-2-[3-hydroxy-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-3,6-dimethoxyphenol
CID 158624845
2,5-Dimethoxy-6-[4-(4-methylpent-3-enyl)-3-methylsulfonyloxyphenyl]-3-(4-methylsulfonyloxyphenyl)benzoic acid;2-[4-[(2,4-dimethylphenyl)methoxy]-3-hydroxyphenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;5-[2-(hydroxymethyl)-4-(4-hydroxyphenyl)-3,6-dimethoxyphenyl]-2-(4-methylpent-3-enyl)phenol;2-[3-hydroxy-4-(naphthalen-2-ylmethoxy)phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;5-(4-hydroxyphenyl)-2-[3-hydroxy-4-[(4-propan-2-ylphenyl)methoxy]phenyl]-3,6-dimethoxyphenol;5-(4-hydroxyphenyl)-2-[3-hydroxy-4-(quinolin-2-ylmethoxy)phenyl]-3,6-dimethoxyphenol;5-(4-hydroxyphenyl)-2-[3-hydroxy-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-3,6-dimethoxyphenol
CID 159454274
[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(naphthalen-2-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-[(4-propan-2-ylphenyl)methoxy]phenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(quinolin-2-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]phenyl]phenyl] methanesulfonate;[4-[4-[4-[(2,4-dimethylphenyl)methoxy]-3-methylsulfonyloxyphenyl]-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;ethyl N-[2-[2-hydroxy-4-[2-hydroxy-4-(4-hydroxyphenyl)-3,6-dimethoxyphenyl]phenoxy]ethylideneamino]carbamate;[(E)-2-[2-hydroxy-4-[2-hydroxy-4-(4-hydroxyphenyl)-3,6-dimethoxyphenyl]phenoxy]ethylideneamino]urea
CID 172963826

Frequently Asked Questions

What is the IUPAC name of [4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(naphthalen-2-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-[(4-propan-2-ylphenyl)methoxy]phenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(quinolin-2-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]phenyl]phenyl] methanesulfonate;[4-[4-[4-[(2,4-dimethylphenyl)methoxy]-3-methylsulfonyloxyphenyl]-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;ethyl N-[(E)-2-[2-hydroxy-4-[2-hydroxy-4-(4-hydroxyphenyl)-3,6-dimethoxyphenyl]phenoxy]ethylideneamino]carbamate?
The IUPAC name of [4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(naphthalen-2-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-[(4-propan-2-ylphenyl)methoxy]phenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(quinolin-2-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]phenyl]phenyl] methanesulfonate;[4-[4-[4-[(2,4-dimethylphenyl)methoxy]-3-methylsulfonyloxyphenyl]-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;ethyl N-[(E)-2-[2-hydroxy-4-[2-hydroxy-4-(4-hydroxyphenyl)-3,6-dimethoxyphenyl]phenoxy]ethylideneamino]carbamate (CID 172940837) is [4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(naphthalen-2-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-[(4-propan-2-ylphenyl)methoxy]phenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(quinolin-2-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]phenyl]phenyl] methanesulfonate;[4-[4-[4-[(2,4-dimethylphenyl)methoxy]-3-methylsulfonyloxyphenyl]-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;ethyl N-[(E)-2-[2-hydroxy-4-[2-hydroxy-4-(4-hydroxyphenyl)-3,6-dimethoxyphenyl]phenoxy]ethylideneamino]carbamate.
What is the SMILES notation for [4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(naphthalen-2-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-[(4-propan-2-ylphenyl)methoxy]phenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(quinolin-2-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]phenyl]phenyl] methanesulfonate;[4-[4-[4-[(2,4-dimethylphenyl)methoxy]-3-methylsulfonyloxyphenyl]-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;ethyl N-[(E)-2-[2-hydroxy-4-[2-hydroxy-4-(4-hydroxyphenyl)-3,6-dimethoxyphenyl]phenoxy]ethylideneamino]carbamate?
The canonical SMILES for [4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(naphthalen-2-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-[(4-propan-2-ylphenyl)methoxy]phenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(quinolin-2-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]phenyl]phenyl] methanesulfonate;[4-[4-[4-[(2,4-dimethylphenyl)methoxy]-3-methylsulfonyloxyphenyl]-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;ethyl N-[(E)-2-[2-hydroxy-4-[2-hydroxy-4-(4-hydroxyphenyl)-3,6-dimethoxyphenyl]phenoxy]ethylideneamino]carbamate is CCOC(=O)N/N=C/COc1ccc(-c2c(OC)cc(-c3ccc(O)cc3)c(OC)c2O)cc1O.COc1cc(-c2ccc(OS(C)(=O)=O)cc2)c(OC)c(OS(C)(=O)=O)c1-c1ccc(OCc2ccc(C(C)C)cc2)c(OS(C)(=O)=O)c1.COc1cc(-c2ccc(OS(C)(=O)=O)cc2)c(OC)c(OS(C)(=O)=O)c1-c1ccc(OCc2ccc(C(F)(F)F)cc2)c(OS(C)(=O)=O)c1.COc1cc(-c2ccc(OS(C)(=O)=O)cc2)c(OC)c(OS(C)(=O)=O)c1-c1ccc(OCc2ccc(C)cc2C)c(OS(C)(=O)=O)c1.COc1cc(-c2ccc(OS(C)(=O)=O)cc2)c(OC)c(OS(C)(=O)=O)c1-c1ccc(OCc2ccc3ccccc3c2)c(OS(C)(=O)=O)c1.COc1cc(-c2ccc(OS(C)(=O)=O)cc2)c(OC)c(OS(C)(=O)=O)c1-c1ccc(OCc2ccc3ccccc3n2)c(OS(C)(=O)=O)c1.
What is the InChIKey of [4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(naphthalen-2-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-[(4-propan-2-ylphenyl)methoxy]phenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(quinolin-2-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]phenyl]phenyl] methanesulfonate;[4-[4-[4-[(2,4-dimethylphenyl)methoxy]-3-methylsulfonyloxyphenyl]-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;ethyl N-[(E)-2-[2-hydroxy-4-[2-hydroxy-4-(4-hydroxyphenyl)-3,6-dimethoxyphenyl]phenoxy]ethylideneamino]carbamate?
The InChIKey is ZRTIWRDDYZLAJH-WXMUTOTCSA-N. The full InChI is InChI=1S/C34H32O12S3.C33H31NO12S3.C33H36O12S3.C32H34O12S3.C31H29F3O12S3.C25H26N2O8/c1-41-31-20-28(24-12-15-27(16-13-24)44-47(3,35)36)33(42-2)34(46-49(5,39)40)32(31)26-14-17-29(30(19-26)45-48(4,37)38)43-21-22-10-11-23-8-6-7-9-25(23)18-22;1-41-30-19-26(21-11-15-25(16-12-21)44-47(3,35)36)32(42-2)33(46-49(5,39)40)31(30)23-13-17-28(29(18-23)45-48(4,37)38)43-20-24-14-10-22-8-6-7-9-27(22)34-24;1-21(2)23-10-8-22(9-11-23)20-42-28-17-14-25(18-29(28)44-47(6,36)37)31-30(40-3)19-27(32(41-4)33(31)45-48(7,38)39)24-12-15-26(16-13-24)43-46(5,34)35;1-20-8-9-24(21(2)16-20)19-41-27-15-12-23(17-28(27)43-46(6,35)36)30-29(39-3)18-26(31(40-4)32(30)44-47(7,37)38)22-10-13-25(14-11-22)42-45(5,33)34;1-41-27-17-24(20-8-13-23(14-9-20)44-47(3,35)36)29(42-2)30(46-49(5,39)40)28(27)21-10-15-25(26(16-21)45-48(4,37)38)43-18-19-6-11-22(12-7-19)31(32,33)34;1-4-34-25(31)27-26-11-12-35-20-10-7-16(13-19(20)29)22-21(32-2)14-18(24(33-3)23(22)30)15-5-8-17(28)9-6-15/h6-20H,21H2,1-5H3;6-19H,20H2,1-5H3;8-19,21H,20H2,1-7H3;8-18H,19H2,1-7H3;6-17H,18H2,1-5H3;5-11,13-14,28-30H,4,12H2,1-3H3,(H,27,31)/b;;;;;26-11+.
What are the key properties of [4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(naphthalen-2-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-[(4-propan-2-ylphenyl)methoxy]phenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(quinolin-2-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]phenyl]phenyl] methanesulfonate;[4-[4-[4-[(2,4-dimethylphenyl)methoxy]-3-methylsulfonyloxyphenyl]-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;ethyl N-[(E)-2-[2-hydroxy-4-[2-hydroxy-4-(4-hydroxyphenyl)-3,6-dimethoxyphenyl]phenoxy]ethylideneamino]carbamate?
[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(naphthalen-2-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-[(4-propan-2-ylphenyl)methoxy]phenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(quinolin-2-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]phenyl]phenyl] methanesulfonate;[4-[4-[4-[(2,4-dimethylphenyl)methoxy]-3-methylsulfonyloxyphenyl]-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;ethyl N-[(E)-2-[2-hydroxy-4-[2-hydroxy-4-(4-hydroxyphenyl)-3,6-dimethoxyphenyl]phenoxy]ethylideneamino]carbamate has a molecular weight of 4115.52 g/mol, XLogP of 31.89, 75 rotatable bonds, 4 hydrogen bond donors, and 70 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(naphthalen-2-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-[(4-propan-2-ylphenyl)methoxy]phenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(quinolin-2-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]phenyl]phenyl] methanesulfonate;[4-[4-[4-[(2,4-dimethylphenyl)methoxy]-3-methylsulfonyloxyphenyl]-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;ethyl N-[(E)-2-[2-hydroxy-4-[2-hydroxy-4-(4-hydroxyphenyl)-3,6-dimethoxyphenyl]phenoxy]ethylideneamino]carbamate is sourced from PubChem (CID 172940837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).