[4-[2-[4-acetyloxy-3-[5-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]-2-methylphenyl] acetate;[4-[2-[4-acetyloxy-3-[5-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]-2-methylphenyl] acetate;[4-[2-[4-acetyloxy-3-[5-[2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]-2-methylphenyl] acetate;[4-[2-[4-acetyloxy-3-[5-(2-methyl-1,3-dioxoisoindol-5-yl)sulfonyl-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]-2-methylphenyl] acetate;5-[2-[2,6-dimethyl-4-[(3,4,5-trimethylphenyl)methyl]phenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;5-[2-[2-[2,6-dimethyl-4-[(3,4,5-trimethylphenyl)methyl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione;5-[2-[2,6-dimethyl-4-[(3,4,5-trimethylphenyl)methyl]phenyl]-1,3-dioxoisoindol-5-yl]sulfonyl-2-methylisoindole-1,3-dione

C259H210F12N14O50S2 — CID 161200858

IUPAC[4-[2-[4-acetyloxy-3-[5-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]-2-methylphenyl] acetate;[4-[2-[4-acetyloxy-3-[5-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]-2-methylphenyl] acetate;[4-[2-[4-acetyloxy-3-[5-[2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]-2-methylphenyl] acetate;[4-[2-[4-acetyloxy-3-[5-(2-methyl-1,3-dioxoisoindol-5-yl)sulfonyl-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]-2-methylphenyl] acetate;5-[2-[2,6-dimethyl-4-[(3,4,5-trimethylphenyl)methyl]phenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;5-[2-[2-[2,6-dimethyl-4-[(3,4,5-trimethylphenyl)methyl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione;5-[2-[2,6-dimethyl-4-[(3,4,5-trimethylphenyl)methyl]phenyl]-1,3-dioxoisoindol-5-yl]sulfonyl-2-methylisoindole-1,3-dione
SMILESCC(=O)Oc1ccc(C(C)(c2ccc(OC(C)=O)c(N3C(=O)c4ccc(-c5ccc6c(c5)C(=O)N(C)C6=O)cc4C3=O)c2)C(F)(F)F)cc1C.CC(=O)Oc1ccc(C(C)(c2ccc(OC(C)=O)c(N3C(=O)c4ccc(C(C)(C)c5ccc6c(c5)C(=O)N(C)C6=O)cc4C3=O)c2)C(F)(F)F)cc1C.CC(=O)Oc1ccc(C(C)(c2ccc(OC(C)=O)c(N3C(=O)c4ccc(Oc5ccc6c(c5)C(=O)N(C)C6=O)cc4C3=O)c2)C(F)(F)F)cc1C.CC(=O)Oc1ccc(C(C)(c2ccc(OC(C)=O)c(N3C(=O)c4ccc(S(=O)(=O)c5ccc6c(c5)C(=O)N(C)C6=O)cc4C3=O)c2)C(F)(F)F)cc1C.Cc1cc(Cc2cc(C)c(N3C(=O)c4ccc(C(C)(C)c5ccc6c(c5)C(=O)N(C)C6=O)cc4C3=O)c(C)c2)cc(C)c1C.Cc1cc(Cc2cc(C)c(N3C(=O)c4ccc(Oc5ccc6c(c5)C(=O)N(C)C6=O)cc4C3=O)c(C)c2)cc(C)c1C.Cc1cc(Cc2cc(C)c(N3C(=O)c4ccc(S(=O)(=O)c5ccc6c(c5)C(=O)N(C)C6=O)cc4C3=O)c(C)c2)cc(C)c1C
InChIInChI=1S/C40H33F3N2O8.C38H36N2O4.C37H27F3N2O10S.C37H27F3N2O9.C37H27F3N2O8.C35H30N2O6S.C35H30N2O5/c1-20-16-25(10-14-32(20)52-21(2)46)39(6,40(41,42)43)26-11-15-33(53-22(3)47)31(19-26)45-36(50)28-13-9-24(18-30(28)37(45)51)38(4,5)23-8-12-27-29(17-23)35(49)44(7)34(27)48;1-20-13-25(14-21(2)24(20)5)17-26-15-22(3)33(23(4)16-26)40-36(43)30-12-10-28(19-32(30)37(40)44)38(6,7)27-9-11-29-31(18-27)35(42)39(8)34(29)41;1-18-14-21(6-12-30(18)51-19(2)43)36(4,37(38,39)40)22-7-13-31(52-20(3)44)29(15-22)42-34(47)26-11-9-24(17-28(26)35(42)48)53(49,50)23-8-10-25-27(16-23)33(46)41(5)32(25)45;1-18-14-21(6-12-30(18)49-19(2)43)36(4,37(38,39)40)22-7-13-31(50-20(3)44)29(15-22)42-34(47)26-11-9-24(17-28(26)35(42)48)51-23-8-10-25-27(16-23)33(46)41(5)32(25)45;1-18-14-23(8-12-30(18)49-19(2)43)36(4,37(38,39)40)24-9-13-31(50-20(3)44)29(17-24)42-34(47)26-11-7-22(16-28(26)35(42)48)21-6-10-25-27(15-21)33(46)41(5)32(25)45;1-18-11-23(12-19(2)22(18)5)15-24-13-20(3)31(21(4)14-24)37-34(40)28-10-8-26(17-30(28)35(37)41)44(42,43)25-7-9-27-29(16-25)33(39)36(6)32(27)38;1-18-11-23(12-19(2)22(18)5)15-24-13-20(3)31(21(4)14-24)37-34(40)28-10-8-26(17-30(28)35(37)41)42-25-7-9-27-29(16-25)33(39)36(6)32(27)38/h8-19H,1-7H3;9-16,18-19H,17H2,1-8H3;6-17H,1-5H3;6-17H,1-5H3;6-17H,1-5H3;7-14,16-17H,15H2,1-6H3;7-14,16-17H,15H2,1-6H3
InChIKeyUUYOBEBWGPGFIW-UHFFFAOYSA-N
MW4610.69 g/mol
LogP45.07
Rot. Bonds42

About [4-[2-[4-acetyloxy-3-[5-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]-2-methylphenyl] acetate;[4-[2-[4-acetyloxy-3-[5-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]-2-methylphenyl] acetate;[4-[2-[4-acetyloxy-3-[5-[2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]-2-methylphenyl] acetate;[4-[2-[4-acetyloxy-3-[5-(2-methyl-1,3-dioxoisoindol-5-yl)sulfonyl-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]-2-methylphenyl] acetate;5-[2-[2,6-dimethyl-4-[(3,4,5-trimethylphenyl)methyl]phenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;5-[2-[2-[2,6-dimethyl-4-[(3,4,5-trimethylphenyl)methyl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione;5-[2-[2,6-dimethyl-4-[(3,4,5-trimethylphenyl)methyl]phenyl]-1,3-dioxoisoindol-5-yl]sulfonyl-2-methylisoindole-1,3-dione

[4-[2-[4-acetyloxy-3-[5-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]-2-methylphenyl] acetate;[4-[2-[4-acetyloxy-3-[5-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]-2-methylphenyl] acetate;[4-[2-[4-acetyloxy-3-[5-[2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]-2-methylphenyl] acetate;[4-[2-[4-acetyloxy-3-[5-(2-methyl-1,3-dioxoisoindol-5-yl)sulfonyl-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]-2-methylphenyl] acetate;5-[2-[2,6-dimethyl-4-[(3,4,5-trimethylphenyl)methyl]phenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;5-[2-[2-[2,6-dimethyl-4-[(3,4,5-trimethylphenyl)methyl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione;5-[2-[2,6-dimethyl-4-[(3,4,5-trimethylphenyl)methyl]phenyl]-1,3-dioxoisoindol-5-yl]sulfonyl-2-methylisoindole-1,3-dione (PubChem CID 161200858) has the molecular formula C259H210F12N14O50S2 and a molecular weight of 4610.69 g/mol. Its IUPAC name is [4-[2-[4-acetyloxy-3-[5-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]-2-methylphenyl] acetate;[4-[2-[4-acetyloxy-3-[5-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]-2-methylphenyl] acetate;[4-[2-[4-acetyloxy-3-[5-[2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]-2-methylphenyl] acetate;[4-[2-[4-acetyloxy-3-[5-(2-methyl-1,3-dioxoisoindol-5-yl)sulfonyl-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]-2-methylphenyl] acetate;5-[2-[2,6-dimethyl-4-[(3,4,5-trimethylphenyl)methyl]phenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;5-[2-[2-[2,6-dimethyl-4-[(3,4,5-trimethylphenyl)methyl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione;5-[2-[2,6-dimethyl-4-[(3,4,5-trimethylphenyl)methyl]phenyl]-1,3-dioxoisoindol-5-yl]sulfonyl-2-methylisoindole-1,3-dione.

Molecular Properties

Compound Name[4-[2-[4-acetyloxy-3-[5-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]-2-methylphenyl] acetate;[4-[2-[4-acetyloxy-3-[5-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]-2-methylphenyl] acetate;[4-[2-[4-acetyloxy-3-[5-[2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]-2-methylphenyl] acetate;[4-[2-[4-acetyloxy-3-[5-(2-methyl-1,3-dioxoisoindol-5-yl)sulfonyl-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]-2-methylphenyl] acetate;5-[2-[2,6-dimethyl-4-[(3,4,5-trimethylphenyl)methyl]phenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;5-[2-[2-[2,6-dimethyl-4-[(3,4,5-trimethylphenyl)methyl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione;5-[2-[2,6-dimethyl-4-[(3,4,5-trimethylphenyl)methyl]phenyl]-1,3-dioxoisoindol-5-yl]sulfonyl-2-methylisoindole-1,3-dione
PubChem CID161200858
Molecular FormulaC259H210F12N14O50S2
Molecular Weight4610.69 g/mol
Exact Mass4607.36
IUPAC Name[4-[2-[4-acetyloxy-3-[5-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]-2-methylphenyl] acetate;[4-[2-[4-acetyloxy-3-[5-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]-2-methylphenyl] acetate;[4-[2-[4-acetyloxy-3-[5-[2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]-2-methylphenyl] acetate;[4-[2-[4-acetyloxy-3-[5-(2-methyl-1,3-dioxoisoindol-5-yl)sulfonyl-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]-2-methylphenyl] acetate;5-[2-[2,6-dimethyl-4-[(3,4,5-trimethylphenyl)methyl]phenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;5-[2-[2-[2,6-dimethyl-4-[(3,4,5-trimethylphenyl)methyl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione;5-[2-[2,6-dimethyl-4-[(3,4,5-trimethylphenyl)methyl]phenyl]-1,3-dioxoisoindol-5-yl]sulfonyl-2-methylisoindole-1,3-dione
SMILESCC(=O)Oc1ccc(C(C)(c2ccc(OC(C)=O)c(N3C(=O)c4ccc(-c5ccc6c(c5)C(=O)N(C)C6=O)cc4C3=O)c2)C(F)(F)F)cc1C.CC(=O)Oc1ccc(C(C)(c2ccc(OC(C)=O)c(N3C(=O)c4ccc(C(C)(C)c5ccc6c(c5)C(=O)N(C)C6=O)cc4C3=O)c2)C(F)(F)F)cc1C.CC(=O)Oc1ccc(C(C)(c2ccc(OC(C)=O)c(N3C(=O)c4ccc(Oc5ccc6c(c5)C(=O)N(C)C6=O)cc4C3=O)c2)C(F)(F)F)cc1C.CC(=O)Oc1ccc(C(C)(c2ccc(OC(C)=O)c(N3C(=O)c4ccc(S(=O)(=O)c5ccc6c(c5)C(=O)N(C)C6=O)cc4C3=O)c2)C(F)(F)F)cc1C.Cc1cc(Cc2cc(C)c(N3C(=O)c4ccc(C(C)(C)c5ccc6c(c5)C(=O)N(C)C6=O)cc4C3=O)c(C)c2)cc(C)c1C.Cc1cc(Cc2cc(C)c(N3C(=O)c4ccc(Oc5ccc6c(c5)C(=O)N(C)C6=O)cc4C3=O)c(C)c2)cc(C)c1C.Cc1cc(Cc2cc(C)c(N3C(=O)c4ccc(S(=O)(=O)c5ccc6c(c5)C(=O)N(C)C6=O)cc4C3=O)c(C)c2)cc(C)c1C
InChIInChI=1S/C40H33F3N2O8.C38H36N2O4.C37H27F3N2O10S.C37H27F3N2O9.C37H27F3N2O8.C35H30N2O6S.C35H30N2O5/c1-20-16-25(10-14-32(20)52-21(2)46)39(6,40(41,42)43)26-11-15-33(53-22(3)47)31(19-26)45-36(50)28-13-9-24(18-30(28)37(45)51)38(4,5)23-8-12-27-29(17-23)35(49)44(7)34(27)48;1-20-13-25(14-21(2)24(20)5)17-26-15-22(3)33(23(4)16-26)40-36(43)30-12-10-28(19-32(30)37(40)44)38(6,7)27-9-11-29-31(18-27)35(42)39(8)34(29)41;1-18-14-21(6-12-30(18)51-19(2)43)36(4,37(38,39)40)22-7-13-31(52-20(3)44)29(15-22)42-34(47)26-11-9-24(17-28(26)35(42)48)53(49,50)23-8-10-25-27(16-23)33(46)41(5)32(25)45;1-18-14-21(6-12-30(18)49-19(2)43)36(4,37(38,39)40)22-7-13-31(50-20(3)44)29(15-22)42-34(47)26-11-9-24(17-28(26)35(42)48)51-23-8-10-25-27(16-23)33(46)41(5)32(25)45;1-18-14-23(8-12-30(18)49-19(2)43)36(4,37(38,39)40)24-9-13-31(50-20(3)44)29(17-24)42-34(47)26-11-7-22(16-28(26)35(42)48)21-6-10-25-27(15-21)33(46)41(5)32(25)45;1-18-11-23(12-19(2)22(18)5)15-24-13-20(3)31(21(4)14-24)37-34(40)28-10-8-26(17-30(28)35(37)41)44(42,43)25-7-9-27-29(16-25)33(39)36(6)32(27)38;1-18-11-23(12-19(2)22(18)5)15-24-13-20(3)31(21(4)14-24)37-34(40)28-10-8-26(17-30(28)35(37)41)42-25-7-9-27-29(16-25)33(39)36(6)32(27)38/h8-19H,1-7H3;9-16,18-19H,17H2,1-8H3;6-17H,1-5H3;6-17H,1-5H3;6-17H,1-5H3;7-14,16-17H,15H2,1-6H3;7-14,16-17H,15H2,1-6H3
InChIKeyUUYOBEBWGPGFIW-UHFFFAOYSA-N
XLogP45.07
TPSA820.46 Ų
H-Bond Donors
H-Bond Acceptors50
Rotatable Bonds42
Heavy Atoms337
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004610.69
LogP ≤ 545.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1050

Analyze [4-[2-[4-acetyloxy-3-[5-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]-2-methylphenyl] acetate;[4-[2-[4-acetyloxy-3-[5-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]-2-methylphenyl] acetate;[4-[2-[4-acetyloxy-3-[5-[2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]-2-methylphenyl] acetate;[4-[2-[4-acetyloxy-3-[5-(2-methyl-1,3-dioxoisoindol-5-yl)sulfonyl-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]-2-methylphenyl] acetate;5-[2-[2,6-dimethyl-4-[(3,4,5-trimethylphenyl)methyl]phenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;5-[2-[2-[2,6-dimethyl-4-[(3,4,5-trimethylphenyl)methyl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione;5-[2-[2,6-dimethyl-4-[(3,4,5-trimethylphenyl)methyl]phenyl]-1,3-dioxoisoindol-5-yl]sulfonyl-2-methylisoindole-1,3-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-[2-[4-acetyloxy-3-[5-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]-2-methylphenyl] acetate;[4-[2-[4-acetyloxy-3-[5-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]-2-methylphenyl] acetate;[4-[2-[4-acetyloxy-3-[5-[2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]-2-methylphenyl] acetate;[4-[2-[4-acetyloxy-3-[5-(2-methyl-1,3-dioxoisoindol-5-yl)sulfonyl-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]-2-methylphenyl] acetate;5-[2-[2,6-dimethyl-4-[(3,4,5-trimethylphenyl)methyl]phenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;5-[2-[2-[2,6-dimethyl-4-[(3,4,5-trimethylphenyl)methyl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione;5-[2-[2,6-dimethyl-4-[(3,4,5-trimethylphenyl)methyl]phenyl]-1,3-dioxoisoindol-5-yl]sulfonyl-2-methylisoindole-1,3-dione?
The IUPAC name of [4-[2-[4-acetyloxy-3-[5-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]-2-methylphenyl] acetate;[4-[2-[4-acetyloxy-3-[5-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]-2-methylphenyl] acetate;[4-[2-[4-acetyloxy-3-[5-[2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]-2-methylphenyl] acetate;[4-[2-[4-acetyloxy-3-[5-(2-methyl-1,3-dioxoisoindol-5-yl)sulfonyl-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]-2-methylphenyl] acetate;5-[2-[2,6-dimethyl-4-[(3,4,5-trimethylphenyl)methyl]phenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;5-[2-[2-[2,6-dimethyl-4-[(3,4,5-trimethylphenyl)methyl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione;5-[2-[2,6-dimethyl-4-[(3,4,5-trimethylphenyl)methyl]phenyl]-1,3-dioxoisoindol-5-yl]sulfonyl-2-methylisoindole-1,3-dione (CID 161200858) is [4-[2-[4-acetyloxy-3-[5-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]-2-methylphenyl] acetate;[4-[2-[4-acetyloxy-3-[5-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]-2-methylphenyl] acetate;[4-[2-[4-acetyloxy-3-[5-[2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]-2-methylphenyl] acetate;[4-[2-[4-acetyloxy-3-[5-(2-methyl-1,3-dioxoisoindol-5-yl)sulfonyl-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]-2-methylphenyl] acetate;5-[2-[2,6-dimethyl-4-[(3,4,5-trimethylphenyl)methyl]phenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;5-[2-[2-[2,6-dimethyl-4-[(3,4,5-trimethylphenyl)methyl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione;5-[2-[2,6-dimethyl-4-[(3,4,5-trimethylphenyl)methyl]phenyl]-1,3-dioxoisoindol-5-yl]sulfonyl-2-methylisoindole-1,3-dione.
What is the SMILES notation for [4-[2-[4-acetyloxy-3-[5-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]-2-methylphenyl] acetate;[4-[2-[4-acetyloxy-3-[5-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]-2-methylphenyl] acetate;[4-[2-[4-acetyloxy-3-[5-[2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]-2-methylphenyl] acetate;[4-[2-[4-acetyloxy-3-[5-(2-methyl-1,3-dioxoisoindol-5-yl)sulfonyl-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]-2-methylphenyl] acetate;5-[2-[2,6-dimethyl-4-[(3,4,5-trimethylphenyl)methyl]phenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;5-[2-[2-[2,6-dimethyl-4-[(3,4,5-trimethylphenyl)methyl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione;5-[2-[2,6-dimethyl-4-[(3,4,5-trimethylphenyl)methyl]phenyl]-1,3-dioxoisoindol-5-yl]sulfonyl-2-methylisoindole-1,3-dione?
The canonical SMILES for [4-[2-[4-acetyloxy-3-[5-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]-2-methylphenyl] acetate;[4-[2-[4-acetyloxy-3-[5-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]-2-methylphenyl] acetate;[4-[2-[4-acetyloxy-3-[5-[2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]-2-methylphenyl] acetate;[4-[2-[4-acetyloxy-3-[5-(2-methyl-1,3-dioxoisoindol-5-yl)sulfonyl-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]-2-methylphenyl] acetate;5-[2-[2,6-dimethyl-4-[(3,4,5-trimethylphenyl)methyl]phenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;5-[2-[2-[2,6-dimethyl-4-[(3,4,5-trimethylphenyl)methyl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione;5-[2-[2,6-dimethyl-4-[(3,4,5-trimethylphenyl)methyl]phenyl]-1,3-dioxoisoindol-5-yl]sulfonyl-2-methylisoindole-1,3-dione is CC(=O)Oc1ccc(C(C)(c2ccc(OC(C)=O)c(N3C(=O)c4ccc(-c5ccc6c(c5)C(=O)N(C)C6=O)cc4C3=O)c2)C(F)(F)F)cc1C.CC(=O)Oc1ccc(C(C)(c2ccc(OC(C)=O)c(N3C(=O)c4ccc(C(C)(C)c5ccc6c(c5)C(=O)N(C)C6=O)cc4C3=O)c2)C(F)(F)F)cc1C.CC(=O)Oc1ccc(C(C)(c2ccc(OC(C)=O)c(N3C(=O)c4ccc(Oc5ccc6c(c5)C(=O)N(C)C6=O)cc4C3=O)c2)C(F)(F)F)cc1C.CC(=O)Oc1ccc(C(C)(c2ccc(OC(C)=O)c(N3C(=O)c4ccc(S(=O)(=O)c5ccc6c(c5)C(=O)N(C)C6=O)cc4C3=O)c2)C(F)(F)F)cc1C.Cc1cc(Cc2cc(C)c(N3C(=O)c4ccc(C(C)(C)c5ccc6c(c5)C(=O)N(C)C6=O)cc4C3=O)c(C)c2)cc(C)c1C.Cc1cc(Cc2cc(C)c(N3C(=O)c4ccc(Oc5ccc6c(c5)C(=O)N(C)C6=O)cc4C3=O)c(C)c2)cc(C)c1C.Cc1cc(Cc2cc(C)c(N3C(=O)c4ccc(S(=O)(=O)c5ccc6c(c5)C(=O)N(C)C6=O)cc4C3=O)c(C)c2)cc(C)c1C.
What is the InChIKey of [4-[2-[4-acetyloxy-3-[5-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]-2-methylphenyl] acetate;[4-[2-[4-acetyloxy-3-[5-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]-2-methylphenyl] acetate;[4-[2-[4-acetyloxy-3-[5-[2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]-2-methylphenyl] acetate;[4-[2-[4-acetyloxy-3-[5-(2-methyl-1,3-dioxoisoindol-5-yl)sulfonyl-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]-2-methylphenyl] acetate;5-[2-[2,6-dimethyl-4-[(3,4,5-trimethylphenyl)methyl]phenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;5-[2-[2-[2,6-dimethyl-4-[(3,4,5-trimethylphenyl)methyl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione;5-[2-[2,6-dimethyl-4-[(3,4,5-trimethylphenyl)methyl]phenyl]-1,3-dioxoisoindol-5-yl]sulfonyl-2-methylisoindole-1,3-dione?
The InChIKey is UUYOBEBWGPGFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H33F3N2O8.C38H36N2O4.C37H27F3N2O10S.C37H27F3N2O9.C37H27F3N2O8.C35H30N2O6S.C35H30N2O5/c1-20-16-25(10-14-32(20)52-21(2)46)39(6,40(41,42)43)26-11-15-33(53-22(3)47)31(19-26)45-36(50)28-13-9-24(18-30(28)37(45)51)38(4,5)23-8-12-27-29(17-23)35(49)44(7)34(27)48;1-20-13-25(14-21(2)24(20)5)17-26-15-22(3)33(23(4)16-26)40-36(43)30-12-10-28(19-32(30)37(40)44)38(6,7)27-9-11-29-31(18-27)35(42)39(8)34(29)41;1-18-14-21(6-12-30(18)51-19(2)43)36(4,37(38,39)40)22-7-13-31(52-20(3)44)29(15-22)42-34(47)26-11-9-24(17-28(26)35(42)48)53(49,50)23-8-10-25-27(16-23)33(46)41(5)32(25)45;1-18-14-21(6-12-30(18)49-19(2)43)36(4,37(38,39)40)22-7-13-31(50-20(3)44)29(15-22)42-34(47)26-11-9-24(17-28(26)35(42)48)51-23-8-10-25-27(16-23)33(46)41(5)32(25)45;1-18-14-23(8-12-30(18)49-19(2)43)36(4,37(38,39)40)24-9-13-31(50-20(3)44)29(17-24)42-34(47)26-11-7-22(16-28(26)35(42)48)21-6-10-25-27(15-21)33(46)41(5)32(25)45;1-18-11-23(12-19(2)22(18)5)15-24-13-20(3)31(21(4)14-24)37-34(40)28-10-8-26(17-30(28)35(37)41)44(42,43)25-7-9-27-29(16-25)33(39)36(6)32(27)38;1-18-11-23(12-19(2)22(18)5)15-24-13-20(3)31(21(4)14-24)37-34(40)28-10-8-26(17-30(28)35(37)41)42-25-7-9-27-29(16-25)33(39)36(6)32(27)38/h8-19H,1-7H3;9-16,18-19H,17H2,1-8H3;6-17H,1-5H3;6-17H,1-5H3;6-17H,1-5H3;7-14,16-17H,15H2,1-6H3;7-14,16-17H,15H2,1-6H3.
What are the key properties of [4-[2-[4-acetyloxy-3-[5-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]-2-methylphenyl] acetate;[4-[2-[4-acetyloxy-3-[5-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]-2-methylphenyl] acetate;[4-[2-[4-acetyloxy-3-[5-[2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]-2-methylphenyl] acetate;[4-[2-[4-acetyloxy-3-[5-(2-methyl-1,3-dioxoisoindol-5-yl)sulfonyl-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]-2-methylphenyl] acetate;5-[2-[2,6-dimethyl-4-[(3,4,5-trimethylphenyl)methyl]phenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;5-[2-[2-[2,6-dimethyl-4-[(3,4,5-trimethylphenyl)methyl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione;5-[2-[2,6-dimethyl-4-[(3,4,5-trimethylphenyl)methyl]phenyl]-1,3-dioxoisoindol-5-yl]sulfonyl-2-methylisoindole-1,3-dione?
[4-[2-[4-acetyloxy-3-[5-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]-2-methylphenyl] acetate;[4-[2-[4-acetyloxy-3-[5-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]-2-methylphenyl] acetate;[4-[2-[4-acetyloxy-3-[5-[2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]-2-methylphenyl] acetate;[4-[2-[4-acetyloxy-3-[5-(2-methyl-1,3-dioxoisoindol-5-yl)sulfonyl-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]-2-methylphenyl] acetate;5-[2-[2,6-dimethyl-4-[(3,4,5-trimethylphenyl)methyl]phenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;5-[2-[2-[2,6-dimethyl-4-[(3,4,5-trimethylphenyl)methyl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione;5-[2-[2,6-dimethyl-4-[(3,4,5-trimethylphenyl)methyl]phenyl]-1,3-dioxoisoindol-5-yl]sulfonyl-2-methylisoindole-1,3-dione has a molecular weight of 4610.69 g/mol, XLogP of 45.07, 42 rotatable bonds, 0 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[4-acetyloxy-3-[5-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]-2-methylphenyl] acetate;[4-[2-[4-acetyloxy-3-[5-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]-2-methylphenyl] acetate;[4-[2-[4-acetyloxy-3-[5-[2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]-2-methylphenyl] acetate;[4-[2-[4-acetyloxy-3-[5-(2-methyl-1,3-dioxoisoindol-5-yl)sulfonyl-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]-2-methylphenyl] acetate;5-[2-[2,6-dimethyl-4-[(3,4,5-trimethylphenyl)methyl]phenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;5-[2-[2-[2,6-dimethyl-4-[(3,4,5-trimethylphenyl)methyl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione;5-[2-[2,6-dimethyl-4-[(3,4,5-trimethylphenyl)methyl]phenyl]-1,3-dioxoisoindol-5-yl]sulfonyl-2-methylisoindole-1,3-dione is sourced from PubChem (CID 161200858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).