5-[2-[4-[[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-methyl-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione;5-[2-[4-[[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-methyl-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;5-[2-[4-[[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-methyl-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;5-[2-[4-[[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-methyl-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]sulfonyl-2-methylisoindole-1,3-dione;5-[2-[2-[4-[[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-methyl-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;2-[4-[[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-methyl-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone

C232H191F39N12O40S — CID 159994415

IUPAC5-[2-[4-[[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-methyl-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione;5-[2-[4-[[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-methyl-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;5-[2-[4-[[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-methyl-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;5-[2-[4-[[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-methyl-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]sulfonyl-2-methylisoindole-1,3-dione;5-[2-[2-[4-[[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-methyl-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;2-[4-[[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-methyl-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
SMILESCc1cc(Cc2cc(C)c(-n3c(=O)c4cc5c(=O)n(C)c(=O)c5cc4c3=O)c(C(C)(O)C(F)(F)F)c2)cc(C(C)(O)C(F)(F)F)c1C.Cc1cc(Cc2cc(C)c(N3C(=O)c4ccc(-c5ccc6c(c5)C(=O)N(C)C6=O)cc4C3=O)c(C(C)(O)C(F)(F)F)c2)cc(C(C)(O)C(F)(F)F)c1C.Cc1cc(Cc2cc(C)c(N3C(=O)c4ccc(C(=O)c5ccc6c(c5)C(=O)N(C)C6=O)cc4C3=O)c(C(C)(O)C(F)(F)F)c2)cc(C(C)(O)C(F)(F)F)c1C.Cc1cc(Cc2cc(C)c(N3C(=O)c4ccc(C(C)(c5ccc6c(c5)C(=O)N(C)C6=O)C(F)(F)F)cc4C3=O)c(C(C)(O)C(F)(F)F)c2)cc(C(C)(O)C(F)(F)F)c1C.Cc1cc(Cc2cc(C)c(N3C(=O)c4ccc(Oc5ccc6c(c5)C(=O)N(C)C6=O)cc4C3=O)c(C(C)(O)C(F)(F)F)c2)cc(C(C)(O)C(F)(F)F)c1C.Cc1cc(Cc2cc(C)c(N3C(=O)c4ccc(S(=O)(=O)c5ccc6c(c5)C(=O)N(C)C6=O)cc4C3=O)c(C(C)(O)C(F)(F)F)c2)cc(C(C)(O)C(F)(F)F)c1C
InChIInChI=1S/C42H35F9N2O6.C40H32F6N2O7.C39H32F6N2O8S.C39H32F6N2O7.C39H32F6N2O6.C33H28F6N2O6/c1-19-12-22(15-30(21(19)3)38(5,58)41(46,47)48)14-23-13-20(2)32(31(16-23)39(6,59)42(49,50)51)53-35(56)27-11-9-25(18-29(27)36(53)57)37(4,40(43,44)45)24-8-10-26-28(17-24)34(55)52(7)33(26)54;1-18-11-21(14-29(20(18)3)37(4,54)39(41,42)43)13-22-12-19(2)31(30(15-22)38(5,55)40(44,45)46)48-35(52)26-10-8-24(17-28(26)36(48)53)32(49)23-7-9-25-27(16-23)34(51)47(6)33(25)50;1-18-11-21(14-29(20(18)3)36(4,52)38(40,41)42)13-22-12-19(2)31(30(15-22)37(5,53)39(43,44)45)47-34(50)26-10-8-24(17-28(26)35(47)51)56(54,55)23-7-9-25-27(16-23)33(49)46(6)32(25)48;1-18-11-21(14-29(20(18)3)36(4,52)38(40,41)42)13-22-12-19(2)31(30(15-22)37(5,53)39(43,44)45)47-34(50)26-10-8-24(17-28(26)35(47)51)54-23-7-9-25-27(16-23)33(49)46(6)32(25)48;1-18-11-21(14-29(20(18)3)36(4,52)38(40,41)42)13-22-12-19(2)31(30(15-22)37(5,53)39(43,44)45)47-34(50)26-10-8-24(17-28(26)35(47)51)23-7-9-25-27(16-23)33(49)46(6)32(25)48;1-14-7-17(10-23(16(14)3)30(4,46)32(34,35)36)9-18-8-15(2)25(24(11-18)31(5,47)33(37,38)39)41-28(44)21-12-19-20(13-22(21)29(41)45)27(43)40(6)26(19)42/h8-13,15-18,58-59H,14H2,1-7H3;7-12,14-17,54-55H,13H2,1-6H3;7-12,14-17,52-53H,13H2,1-6H3;7-12,14-17,52-53H,13H2,1-6H3;7-12,14-17,52-53H,13H2,1-6H3;7-8,10-13,46-47H,9H2,1-6H3
InChIKeyOHIYEBVRNMOPPL-UHFFFAOYSA-N
MW4560.11 g/mol
LogP41.73
Rot. Bonds39

About 5-[2-[4-[[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-methyl-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione;5-[2-[4-[[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-methyl-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;5-[2-[4-[[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-methyl-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;5-[2-[4-[[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-methyl-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]sulfonyl-2-methylisoindole-1,3-dione;5-[2-[2-[4-[[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-methyl-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;2-[4-[[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-methyl-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone

5-[2-[4-[[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-methyl-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione;5-[2-[4-[[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-methyl-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;5-[2-[4-[[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-methyl-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;5-[2-[4-[[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-methyl-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]sulfonyl-2-methylisoindole-1,3-dione;5-[2-[2-[4-[[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-methyl-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;2-[4-[[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-methyl-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone (PubChem CID 159994415) has the molecular formula C232H191F39N12O40S and a molecular weight of 4560.11 g/mol. Its IUPAC name is 5-[2-[4-[[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-methyl-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione;5-[2-[4-[[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-methyl-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;5-[2-[4-[[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-methyl-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;5-[2-[4-[[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-methyl-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]sulfonyl-2-methylisoindole-1,3-dione;5-[2-[2-[4-[[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-methyl-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;2-[4-[[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-methyl-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone.

Molecular Properties

Compound Name5-[2-[4-[[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-methyl-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione;5-[2-[4-[[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-methyl-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;5-[2-[4-[[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-methyl-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;5-[2-[4-[[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-methyl-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]sulfonyl-2-methylisoindole-1,3-dione;5-[2-[2-[4-[[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-methyl-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;2-[4-[[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-methyl-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
PubChem CID159994415
Molecular FormulaC232H191F39N12O40S
Molecular Weight4560.11 g/mol
Exact Mass4557.24
IUPAC Name5-[2-[4-[[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-methyl-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione;5-[2-[4-[[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-methyl-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;5-[2-[4-[[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-methyl-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;5-[2-[4-[[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-methyl-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]sulfonyl-2-methylisoindole-1,3-dione;5-[2-[2-[4-[[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-methyl-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;2-[4-[[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-methyl-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
SMILESCc1cc(Cc2cc(C)c(-n3c(=O)c4cc5c(=O)n(C)c(=O)c5cc4c3=O)c(C(C)(O)C(F)(F)F)c2)cc(C(C)(O)C(F)(F)F)c1C.Cc1cc(Cc2cc(C)c(N3C(=O)c4ccc(-c5ccc6c(c5)C(=O)N(C)C6=O)cc4C3=O)c(C(C)(O)C(F)(F)F)c2)cc(C(C)(O)C(F)(F)F)c1C.Cc1cc(Cc2cc(C)c(N3C(=O)c4ccc(C(=O)c5ccc6c(c5)C(=O)N(C)C6=O)cc4C3=O)c(C(C)(O)C(F)(F)F)c2)cc(C(C)(O)C(F)(F)F)c1C.Cc1cc(Cc2cc(C)c(N3C(=O)c4ccc(C(C)(c5ccc6c(c5)C(=O)N(C)C6=O)C(F)(F)F)cc4C3=O)c(C(C)(O)C(F)(F)F)c2)cc(C(C)(O)C(F)(F)F)c1C.Cc1cc(Cc2cc(C)c(N3C(=O)c4ccc(Oc5ccc6c(c5)C(=O)N(C)C6=O)cc4C3=O)c(C(C)(O)C(F)(F)F)c2)cc(C(C)(O)C(F)(F)F)c1C.Cc1cc(Cc2cc(C)c(N3C(=O)c4ccc(S(=O)(=O)c5ccc6c(c5)C(=O)N(C)C6=O)cc4C3=O)c(C(C)(O)C(F)(F)F)c2)cc(C(C)(O)C(F)(F)F)c1C
InChIInChI=1S/C42H35F9N2O6.C40H32F6N2O7.C39H32F6N2O8S.C39H32F6N2O7.C39H32F6N2O6.C33H28F6N2O6/c1-19-12-22(15-30(21(19)3)38(5,58)41(46,47)48)14-23-13-20(2)32(31(16-23)39(6,59)42(49,50)51)53-35(56)27-11-9-25(18-29(27)36(53)57)37(4,40(43,44)45)24-8-10-26-28(17-24)34(55)52(7)33(26)54;1-18-11-21(14-29(20(18)3)37(4,54)39(41,42)43)13-22-12-19(2)31(30(15-22)38(5,55)40(44,45)46)48-35(52)26-10-8-24(17-28(26)36(48)53)32(49)23-7-9-25-27(16-23)34(51)47(6)33(25)50;1-18-11-21(14-29(20(18)3)36(4,52)38(40,41)42)13-22-12-19(2)31(30(15-22)37(5,53)39(43,44)45)47-34(50)26-10-8-24(17-28(26)35(47)51)56(54,55)23-7-9-25-27(16-23)33(49)46(6)32(25)48;1-18-11-21(14-29(20(18)3)36(4,52)38(40,41)42)13-22-12-19(2)31(30(15-22)37(5,53)39(43,44)45)47-34(50)26-10-8-24(17-28(26)35(47)51)54-23-7-9-25-27(16-23)33(49)46(6)32(25)48;1-18-11-21(14-29(20(18)3)36(4,52)38(40,41)42)13-22-12-19(2)31(30(15-22)37(5,53)39(43,44)45)47-34(50)26-10-8-24(17-28(26)35(47)51)23-7-9-25-27(16-23)33(49)46(6)32(25)48;1-14-7-17(10-23(16(14)3)30(4,46)32(34,35)36)9-18-8-15(2)25(24(11-18)31(5,47)33(37,38)39)41-28(44)21-12-19-20(13-22(21)29(41)45)27(43)40(6)26(19)42/h8-13,15-18,58-59H,14H2,1-7H3;7-12,14-17,54-55H,13H2,1-6H3;7-12,14-17,52-53H,13H2,1-6H3;7-12,14-17,52-53H,13H2,1-6H3;7-12,14-17,52-53H,13H2,1-6H3;7-8,10-13,46-47H,9H2,1-6H3
InChIKeyOHIYEBVRNMOPPL-UHFFFAOYSA-N
XLogP41.73
TPSA755.14 Ų
H-Bond Donors12
H-Bond Acceptors42
Rotatable Bonds39
Heavy Atoms324
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004560.11
LogP ≤ 541.73
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1042

Analyze 5-[2-[4-[[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-methyl-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione;5-[2-[4-[[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-methyl-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;5-[2-[4-[[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-methyl-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;5-[2-[4-[[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-methyl-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]sulfonyl-2-methylisoindole-1,3-dione;5-[2-[2-[4-[[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-methyl-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;2-[4-[[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-methyl-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone with MolForge

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What is the IUPAC name of 5-[2-[4-[[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-methyl-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione;5-[2-[4-[[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-methyl-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;5-[2-[4-[[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-methyl-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;5-[2-[4-[[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-methyl-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]sulfonyl-2-methylisoindole-1,3-dione;5-[2-[2-[4-[[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-methyl-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;2-[4-[[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-methyl-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The IUPAC name of 5-[2-[4-[[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-methyl-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione;5-[2-[4-[[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-methyl-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;5-[2-[4-[[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-methyl-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;5-[2-[4-[[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-methyl-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]sulfonyl-2-methylisoindole-1,3-dione;5-[2-[2-[4-[[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-methyl-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;2-[4-[[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-methyl-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone (CID 159994415) is 5-[2-[4-[[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-methyl-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione;5-[2-[4-[[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-methyl-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;5-[2-[4-[[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-methyl-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;5-[2-[4-[[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-methyl-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]sulfonyl-2-methylisoindole-1,3-dione;5-[2-[2-[4-[[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-methyl-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;2-[4-[[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-methyl-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone.
What is the SMILES notation for 5-[2-[4-[[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-methyl-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione;5-[2-[4-[[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-methyl-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;5-[2-[4-[[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-methyl-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;5-[2-[4-[[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-methyl-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]sulfonyl-2-methylisoindole-1,3-dione;5-[2-[2-[4-[[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-methyl-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;2-[4-[[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-methyl-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The canonical SMILES for 5-[2-[4-[[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-methyl-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione;5-[2-[4-[[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-methyl-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;5-[2-[4-[[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-methyl-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;5-[2-[4-[[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-methyl-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]sulfonyl-2-methylisoindole-1,3-dione;5-[2-[2-[4-[[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-methyl-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;2-[4-[[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-methyl-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone is Cc1cc(Cc2cc(C)c(-n3c(=O)c4cc5c(=O)n(C)c(=O)c5cc4c3=O)c(C(C)(O)C(F)(F)F)c2)cc(C(C)(O)C(F)(F)F)c1C.Cc1cc(Cc2cc(C)c(N3C(=O)c4ccc(-c5ccc6c(c5)C(=O)N(C)C6=O)cc4C3=O)c(C(C)(O)C(F)(F)F)c2)cc(C(C)(O)C(F)(F)F)c1C.Cc1cc(Cc2cc(C)c(N3C(=O)c4ccc(C(=O)c5ccc6c(c5)C(=O)N(C)C6=O)cc4C3=O)c(C(C)(O)C(F)(F)F)c2)cc(C(C)(O)C(F)(F)F)c1C.Cc1cc(Cc2cc(C)c(N3C(=O)c4ccc(C(C)(c5ccc6c(c5)C(=O)N(C)C6=O)C(F)(F)F)cc4C3=O)c(C(C)(O)C(F)(F)F)c2)cc(C(C)(O)C(F)(F)F)c1C.Cc1cc(Cc2cc(C)c(N3C(=O)c4ccc(Oc5ccc6c(c5)C(=O)N(C)C6=O)cc4C3=O)c(C(C)(O)C(F)(F)F)c2)cc(C(C)(O)C(F)(F)F)c1C.Cc1cc(Cc2cc(C)c(N3C(=O)c4ccc(S(=O)(=O)c5ccc6c(c5)C(=O)N(C)C6=O)cc4C3=O)c(C(C)(O)C(F)(F)F)c2)cc(C(C)(O)C(F)(F)F)c1C.
What is the InChIKey of 5-[2-[4-[[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-methyl-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione;5-[2-[4-[[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-methyl-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;5-[2-[4-[[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-methyl-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;5-[2-[4-[[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-methyl-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]sulfonyl-2-methylisoindole-1,3-dione;5-[2-[2-[4-[[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-methyl-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;2-[4-[[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-methyl-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The InChIKey is OHIYEBVRNMOPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H35F9N2O6.C40H32F6N2O7.C39H32F6N2O8S.C39H32F6N2O7.C39H32F6N2O6.C33H28F6N2O6/c1-19-12-22(15-30(21(19)3)38(5,58)41(46,47)48)14-23-13-20(2)32(31(16-23)39(6,59)42(49,50)51)53-35(56)27-11-9-25(18-29(27)36(53)57)37(4,40(43,44)45)24-8-10-26-28(17-24)34(55)52(7)33(26)54;1-18-11-21(14-29(20(18)3)37(4,54)39(41,42)43)13-22-12-19(2)31(30(15-22)38(5,55)40(44,45)46)48-35(52)26-10-8-24(17-28(26)36(48)53)32(49)23-7-9-25-27(16-23)34(51)47(6)33(25)50;1-18-11-21(14-29(20(18)3)36(4,52)38(40,41)42)13-22-12-19(2)31(30(15-22)37(5,53)39(43,44)45)47-34(50)26-10-8-24(17-28(26)35(47)51)56(54,55)23-7-9-25-27(16-23)33(49)46(6)32(25)48;1-18-11-21(14-29(20(18)3)36(4,52)38(40,41)42)13-22-12-19(2)31(30(15-22)37(5,53)39(43,44)45)47-34(50)26-10-8-24(17-28(26)35(47)51)54-23-7-9-25-27(16-23)33(49)46(6)32(25)48;1-18-11-21(14-29(20(18)3)36(4,52)38(40,41)42)13-22-12-19(2)31(30(15-22)37(5,53)39(43,44)45)47-34(50)26-10-8-24(17-28(26)35(47)51)23-7-9-25-27(16-23)33(49)46(6)32(25)48;1-14-7-17(10-23(16(14)3)30(4,46)32(34,35)36)9-18-8-15(2)25(24(11-18)31(5,47)33(37,38)39)41-28(44)21-12-19-20(13-22(21)29(41)45)27(43)40(6)26(19)42/h8-13,15-18,58-59H,14H2,1-7H3;7-12,14-17,54-55H,13H2,1-6H3;7-12,14-17,52-53H,13H2,1-6H3;7-12,14-17,52-53H,13H2,1-6H3;7-12,14-17,52-53H,13H2,1-6H3;7-8,10-13,46-47H,9H2,1-6H3.
What are the key properties of 5-[2-[4-[[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-methyl-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione;5-[2-[4-[[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-methyl-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;5-[2-[4-[[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-methyl-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;5-[2-[4-[[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-methyl-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]sulfonyl-2-methylisoindole-1,3-dione;5-[2-[2-[4-[[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-methyl-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;2-[4-[[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-methyl-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
5-[2-[4-[[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-methyl-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione;5-[2-[4-[[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-methyl-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;5-[2-[4-[[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-methyl-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;5-[2-[4-[[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-methyl-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]sulfonyl-2-methylisoindole-1,3-dione;5-[2-[2-[4-[[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-methyl-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;2-[4-[[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-methyl-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone has a molecular weight of 4560.11 g/mol, XLogP of 41.73, 39 rotatable bonds, 12 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-[[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-methyl-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione;5-[2-[4-[[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-methyl-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;5-[2-[4-[[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-methyl-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;5-[2-[4-[[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-methyl-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]sulfonyl-2-methylisoindole-1,3-dione;5-[2-[2-[4-[[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-methyl-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;2-[4-[[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-methyl-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone is sourced from PubChem (CID 159994415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).