[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

C211H211F3N6O75S15 — CID 172963826

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-[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
SMILESCCOC(=O)NN=CCOc1ccc(-c2c(OC)cc(-c3ccc(O)cc3)c(OC)c2O)cc1O.COc1cc(-c2ccc(O)cc2)c(OC)c(O)c1-c1ccc(OC/C=N/NC(N)=O)c(O)c1.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.C23H23N3O7/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;1-31-19-12-16(13-3-6-15(27)7-4-13)22(32-2)21(29)20(19)14-5-8-18(17(28)11-14)33-10-9-25-26-23(24)30/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);3-9,11-12,27-29H,10H2,1-2H3,(H3,24,26,30)/b;;;;;;25-9+
InChIKeyWRVWNOZTEDUVDV-FSZVFLDOSA-N
MW4568.97 g/mol
LogP35.07
Rot. Bonds83

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-[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

[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 (PubChem CID 172963826) has the molecular formula C211H211F3N6O75S15 and a molecular weight of 4568.97 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-[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.

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-[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
PubChem CID172963826
Molecular FormulaC211H211F3N6O75S15
Molecular Weight4568.97 g/mol
Exact Mass4564.86
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-[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
SMILESCCOC(=O)NN=CCOc1ccc(-c2c(OC)cc(-c3ccc(O)cc3)c(OC)c2O)cc1O.COc1cc(-c2ccc(O)cc2)c(OC)c(O)c1-c1ccc(OC/C=N/NC(N)=O)c(O)c1.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.C23H23N3O7/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;1-31-19-12-16(13-3-6-15(27)7-4-13)22(32-2)21(29)20(19)14-5-8-18(17(28)11-14)33-10-9-25-26-23(24)30/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);3-9,11-12,27-29H,10H2,1-2H3,(H3,24,26,30)/b;;;;;;25-9+
InChIKeyWRVWNOZTEDUVDV-FSZVFLDOSA-N
XLogP35.07
TPSA1096.82 Ų
H-Bond Donors9
H-Bond Acceptors78
Rotatable Bonds83
Heavy Atoms310
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004568.97
LogP ≤ 535.07
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1078

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-[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 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-[(E)-2-[2-hydroxy-4-[2-hydroxy-4-(4-hydroxyphenyl)-3,6-dimethoxyphenyl]phenoxy]ethylideneamino]carbamate
CID 172940837

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-[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?
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-[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) 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-[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.
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-[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?
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-[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 is CCOC(=O)NN=CCOc1ccc(-c2c(OC)cc(-c3ccc(O)cc3)c(OC)c2O)cc1O.COc1cc(-c2ccc(O)cc2)c(OC)c(O)c1-c1ccc(OC/C=N/NC(N)=O)c(O)c1.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-[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?
The InChIKey is WRVWNOZTEDUVDV-FSZVFLDOSA-N. The full InChI is InChI=1S/C34H32O12S3.C33H31NO12S3.C33H36O12S3.C32H34O12S3.C31H29F3O12S3.C25H26N2O8.C23H23N3O7/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;1-31-19-12-16(13-3-6-15(27)7-4-13)22(32-2)21(29)20(19)14-5-8-18(17(28)11-14)33-10-9-25-26-23(24)30/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);3-9,11-12,27-29H,10H2,1-2H3,(H3,24,26,30)/b;;;;;;25-9+.
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-[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?
[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 has a molecular weight of 4568.97 g/mol, XLogP of 35.07, 83 rotatable bonds, 9 hydrogen bond donors, and 78 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-[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 is sourced from PubChem (CID 172963826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).