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

C226H179F39N12O40S — CID 157461971

IUPAC5-[2-[4-[2,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione;5-[2-[4-[2,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;5-[2-[4-[2,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;5-[2-[4-[2,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]sulfonyl-2-methylisoindole-1,3-dione;5-[2-[2-[4-[2,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-2-(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-[2,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
SMILESCc1cc(C)c(C(C)(O)C(F)(F)F)cc1-c1cc(C(C)(O)C(F)(F)F)c(-n2c(=O)c3cc4c(=O)n(C)c(=O)c4cc3c2=O)cc1C.Cc1cc(C)c(C(C)(O)C(F)(F)F)cc1-c1cc(C(C)(O)C(F)(F)F)c(N2C(=O)c3ccc(-c4ccc5c(c4)C(=O)N(C)C5=O)cc3C2=O)cc1C.Cc1cc(C)c(C(C)(O)C(F)(F)F)cc1-c1cc(C(C)(O)C(F)(F)F)c(N2C(=O)c3ccc(C(=O)c4ccc5c(c4)C(=O)N(C)C5=O)cc3C2=O)cc1C.Cc1cc(C)c(C(C)(O)C(F)(F)F)cc1-c1cc(C(C)(O)C(F)(F)F)c(N2C(=O)c3ccc(C(C)(c4ccc5c(c4)C(=O)N(C)C5=O)C(F)(F)F)cc3C2=O)cc1C.Cc1cc(C)c(C(C)(O)C(F)(F)F)cc1-c1cc(C(C)(O)C(F)(F)F)c(N2C(=O)c3ccc(Oc4ccc5c(c4)C(=O)N(C)C5=O)cc3C2=O)cc1C.Cc1cc(C)c(C(C)(O)C(F)(F)F)cc1-c1cc(C(C)(O)C(F)(F)F)c(N2C(=O)c3ccc(S(=O)(=O)c4ccc5c(c4)C(=O)N(C)C5=O)cc3C2=O)cc1C
InChIInChI=1S/C41H33F9N2O6.C39H30F6N2O7.C38H30F6N2O8S.C38H30F6N2O7.C38H30F6N2O6.C32H26F6N2O6/c1-18-12-20(3)29(37(5,57)40(45,46)47)16-25(18)26-17-30(38(6,58)41(48,49)50)31(13-19(26)2)52-34(55)24-11-9-22(15-28(24)35(52)56)36(4,39(42,43)44)21-8-10-23-27(14-21)33(54)51(7)32(23)53;1-17-11-19(3)28(36(4,53)38(40,41)42)15-24(17)25-16-29(37(5,54)39(43,44)45)30(12-18(25)2)47-34(51)23-10-8-21(14-27(23)35(47)52)31(48)20-7-9-22-26(13-20)33(50)46(6)32(22)49;1-17-11-19(3)28(35(4,51)37(39,40)41)15-24(17)25-16-29(36(5,52)38(42,43)44)30(12-18(25)2)46-33(49)23-10-8-21(14-27(23)34(46)50)55(53,54)20-7-9-22-26(13-20)32(48)45(6)31(22)47;1-17-11-19(3)28(35(4,51)37(39,40)41)15-24(17)25-16-29(36(5,52)38(42,43)44)30(12-18(25)2)46-33(49)23-10-8-21(14-27(23)34(46)50)53-20-7-9-22-26(13-20)32(48)45(6)31(22)47;1-17-11-19(3)28(35(4,51)37(39,40)41)15-24(17)25-16-29(36(5,52)38(42,43)44)30(12-18(25)2)46-33(49)23-10-8-21(14-27(23)34(46)50)20-7-9-22-26(13-20)32(48)45(6)31(22)47;1-13-7-15(3)22(29(4,45)31(33,34)35)11-16(13)17-12-23(30(5,46)32(36,37)38)24(8-14(17)2)40-27(43)20-9-18-19(10-21(20)28(40)44)26(42)39(6)25(18)41/h8-17,57-58H,1-7H3;7-16,53-54H,1-6H3;7-16,51-52H,1-6H3;7-16,51-52H,1-6H3;7-16,51-52H,1-6H3;7-12,45-46H,1-6H3
InChIKeyBUAKZRFZOYGDIL-UHFFFAOYSA-N
MW4475.95 g/mol
LogP42.19
Rot. Bonds33

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

5-[2-[4-[2,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione;5-[2-[4-[2,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;5-[2-[4-[2,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;5-[2-[4-[2,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]sulfonyl-2-methylisoindole-1,3-dione;5-[2-[2-[4-[2,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-2-(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-[2,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone (PubChem CID 157461971) has the molecular formula C226H179F39N12O40S and a molecular weight of 4475.95 g/mol. Its IUPAC name is 5-[2-[4-[2,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione;5-[2-[4-[2,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;5-[2-[4-[2,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;5-[2-[4-[2,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]sulfonyl-2-methylisoindole-1,3-dione;5-[2-[2-[4-[2,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-2-(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-[2,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-2-(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-[2,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione;5-[2-[4-[2,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;5-[2-[4-[2,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;5-[2-[4-[2,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]sulfonyl-2-methylisoindole-1,3-dione;5-[2-[2-[4-[2,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-2-(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-[2,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
PubChem CID157461971
Molecular FormulaC226H179F39N12O40S
Molecular Weight4475.95 g/mol
Exact Mass4473.14
IUPAC Name5-[2-[4-[2,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione;5-[2-[4-[2,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;5-[2-[4-[2,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;5-[2-[4-[2,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]sulfonyl-2-methylisoindole-1,3-dione;5-[2-[2-[4-[2,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-2-(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-[2,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
SMILESCc1cc(C)c(C(C)(O)C(F)(F)F)cc1-c1cc(C(C)(O)C(F)(F)F)c(-n2c(=O)c3cc4c(=O)n(C)c(=O)c4cc3c2=O)cc1C.Cc1cc(C)c(C(C)(O)C(F)(F)F)cc1-c1cc(C(C)(O)C(F)(F)F)c(N2C(=O)c3ccc(-c4ccc5c(c4)C(=O)N(C)C5=O)cc3C2=O)cc1C.Cc1cc(C)c(C(C)(O)C(F)(F)F)cc1-c1cc(C(C)(O)C(F)(F)F)c(N2C(=O)c3ccc(C(=O)c4ccc5c(c4)C(=O)N(C)C5=O)cc3C2=O)cc1C.Cc1cc(C)c(C(C)(O)C(F)(F)F)cc1-c1cc(C(C)(O)C(F)(F)F)c(N2C(=O)c3ccc(C(C)(c4ccc5c(c4)C(=O)N(C)C5=O)C(F)(F)F)cc3C2=O)cc1C.Cc1cc(C)c(C(C)(O)C(F)(F)F)cc1-c1cc(C(C)(O)C(F)(F)F)c(N2C(=O)c3ccc(Oc4ccc5c(c4)C(=O)N(C)C5=O)cc3C2=O)cc1C.Cc1cc(C)c(C(C)(O)C(F)(F)F)cc1-c1cc(C(C)(O)C(F)(F)F)c(N2C(=O)c3ccc(S(=O)(=O)c4ccc5c(c4)C(=O)N(C)C5=O)cc3C2=O)cc1C
InChIInChI=1S/C41H33F9N2O6.C39H30F6N2O7.C38H30F6N2O8S.C38H30F6N2O7.C38H30F6N2O6.C32H26F6N2O6/c1-18-12-20(3)29(37(5,57)40(45,46)47)16-25(18)26-17-30(38(6,58)41(48,49)50)31(13-19(26)2)52-34(55)24-11-9-22(15-28(24)35(52)56)36(4,39(42,43)44)21-8-10-23-27(14-21)33(54)51(7)32(23)53;1-17-11-19(3)28(36(4,53)38(40,41)42)15-24(17)25-16-29(37(5,54)39(43,44)45)30(12-18(25)2)47-34(51)23-10-8-21(14-27(23)35(47)52)31(48)20-7-9-22-26(13-20)33(50)46(6)32(22)49;1-17-11-19(3)28(35(4,51)37(39,40)41)15-24(17)25-16-29(36(5,52)38(42,43)44)30(12-18(25)2)46-33(49)23-10-8-21(14-27(23)34(46)50)55(53,54)20-7-9-22-26(13-20)32(48)45(6)31(22)47;1-17-11-19(3)28(35(4,51)37(39,40)41)15-24(17)25-16-29(36(5,52)38(42,43)44)30(12-18(25)2)46-33(49)23-10-8-21(14-27(23)34(46)50)53-20-7-9-22-26(13-20)32(48)45(6)31(22)47;1-17-11-19(3)28(35(4,51)37(39,40)41)15-24(17)25-16-29(36(5,52)38(42,43)44)30(12-18(25)2)46-33(49)23-10-8-21(14-27(23)34(46)50)20-7-9-22-26(13-20)32(48)45(6)31(22)47;1-13-7-15(3)22(29(4,45)31(33,34)35)11-16(13)17-12-23(30(5,46)32(36,37)38)24(8-14(17)2)40-27(43)20-9-18-19(10-21(20)28(40)44)26(42)39(6)25(18)41/h8-17,57-58H,1-7H3;7-16,53-54H,1-6H3;7-16,51-52H,1-6H3;7-16,51-52H,1-6H3;7-16,51-52H,1-6H3;7-12,45-46H,1-6H3
InChIKeyBUAKZRFZOYGDIL-UHFFFAOYSA-N
XLogP42.19
TPSA755.14 Ų
H-Bond Donors12
H-Bond Acceptors42
Rotatable Bonds33
Heavy Atoms318
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004475.95
LogP ≤ 542.19
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1042

Analyze 5-[2-[4-[2,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione;5-[2-[4-[2,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;5-[2-[4-[2,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;5-[2-[4-[2,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]sulfonyl-2-methylisoindole-1,3-dione;5-[2-[2-[4-[2,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-2-(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-[2,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-2-(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-[2,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione;5-[2-[4-[2,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;5-[2-[4-[2,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;5-[2-[4-[2,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]sulfonyl-2-methylisoindole-1,3-dione;5-[2-[2-[4-[2,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-2-(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-[2,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-2-(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-[2,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione;5-[2-[4-[2,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;5-[2-[4-[2,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;5-[2-[4-[2,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]sulfonyl-2-methylisoindole-1,3-dione;5-[2-[2-[4-[2,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-2-(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-[2,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone (CID 157461971) is 5-[2-[4-[2,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione;5-[2-[4-[2,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;5-[2-[4-[2,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;5-[2-[4-[2,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]sulfonyl-2-methylisoindole-1,3-dione;5-[2-[2-[4-[2,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-2-(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-[2,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-2-(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-[2,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione;5-[2-[4-[2,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;5-[2-[4-[2,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;5-[2-[4-[2,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]sulfonyl-2-methylisoindole-1,3-dione;5-[2-[2-[4-[2,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-2-(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-[2,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-2-(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-[2,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione;5-[2-[4-[2,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;5-[2-[4-[2,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;5-[2-[4-[2,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]sulfonyl-2-methylisoindole-1,3-dione;5-[2-[2-[4-[2,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-2-(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-[2,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone is Cc1cc(C)c(C(C)(O)C(F)(F)F)cc1-c1cc(C(C)(O)C(F)(F)F)c(-n2c(=O)c3cc4c(=O)n(C)c(=O)c4cc3c2=O)cc1C.Cc1cc(C)c(C(C)(O)C(F)(F)F)cc1-c1cc(C(C)(O)C(F)(F)F)c(N2C(=O)c3ccc(-c4ccc5c(c4)C(=O)N(C)C5=O)cc3C2=O)cc1C.Cc1cc(C)c(C(C)(O)C(F)(F)F)cc1-c1cc(C(C)(O)C(F)(F)F)c(N2C(=O)c3ccc(C(=O)c4ccc5c(c4)C(=O)N(C)C5=O)cc3C2=O)cc1C.Cc1cc(C)c(C(C)(O)C(F)(F)F)cc1-c1cc(C(C)(O)C(F)(F)F)c(N2C(=O)c3ccc(C(C)(c4ccc5c(c4)C(=O)N(C)C5=O)C(F)(F)F)cc3C2=O)cc1C.Cc1cc(C)c(C(C)(O)C(F)(F)F)cc1-c1cc(C(C)(O)C(F)(F)F)c(N2C(=O)c3ccc(Oc4ccc5c(c4)C(=O)N(C)C5=O)cc3C2=O)cc1C.Cc1cc(C)c(C(C)(O)C(F)(F)F)cc1-c1cc(C(C)(O)C(F)(F)F)c(N2C(=O)c3ccc(S(=O)(=O)c4ccc5c(c4)C(=O)N(C)C5=O)cc3C2=O)cc1C.
What is the InChIKey of 5-[2-[4-[2,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione;5-[2-[4-[2,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;5-[2-[4-[2,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;5-[2-[4-[2,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]sulfonyl-2-methylisoindole-1,3-dione;5-[2-[2-[4-[2,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-2-(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-[2,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The InChIKey is BUAKZRFZOYGDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H33F9N2O6.C39H30F6N2O7.C38H30F6N2O8S.C38H30F6N2O7.C38H30F6N2O6.C32H26F6N2O6/c1-18-12-20(3)29(37(5,57)40(45,46)47)16-25(18)26-17-30(38(6,58)41(48,49)50)31(13-19(26)2)52-34(55)24-11-9-22(15-28(24)35(52)56)36(4,39(42,43)44)21-8-10-23-27(14-21)33(54)51(7)32(23)53;1-17-11-19(3)28(36(4,53)38(40,41)42)15-24(17)25-16-29(37(5,54)39(43,44)45)30(12-18(25)2)47-34(51)23-10-8-21(14-27(23)35(47)52)31(48)20-7-9-22-26(13-20)33(50)46(6)32(22)49;1-17-11-19(3)28(35(4,51)37(39,40)41)15-24(17)25-16-29(36(5,52)38(42,43)44)30(12-18(25)2)46-33(49)23-10-8-21(14-27(23)34(46)50)55(53,54)20-7-9-22-26(13-20)32(48)45(6)31(22)47;1-17-11-19(3)28(35(4,51)37(39,40)41)15-24(17)25-16-29(36(5,52)38(42,43)44)30(12-18(25)2)46-33(49)23-10-8-21(14-27(23)34(46)50)53-20-7-9-22-26(13-20)32(48)45(6)31(22)47;1-17-11-19(3)28(35(4,51)37(39,40)41)15-24(17)25-16-29(36(5,52)38(42,43)44)30(12-18(25)2)46-33(49)23-10-8-21(14-27(23)34(46)50)20-7-9-22-26(13-20)32(48)45(6)31(22)47;1-13-7-15(3)22(29(4,45)31(33,34)35)11-16(13)17-12-23(30(5,46)32(36,37)38)24(8-14(17)2)40-27(43)20-9-18-19(10-21(20)28(40)44)26(42)39(6)25(18)41/h8-17,57-58H,1-7H3;7-16,53-54H,1-6H3;7-16,51-52H,1-6H3;7-16,51-52H,1-6H3;7-16,51-52H,1-6H3;7-12,45-46H,1-6H3.
What are the key properties of 5-[2-[4-[2,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione;5-[2-[4-[2,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;5-[2-[4-[2,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;5-[2-[4-[2,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]sulfonyl-2-methylisoindole-1,3-dione;5-[2-[2-[4-[2,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-2-(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-[2,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
5-[2-[4-[2,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione;5-[2-[4-[2,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;5-[2-[4-[2,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;5-[2-[4-[2,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]sulfonyl-2-methylisoindole-1,3-dione;5-[2-[2-[4-[2,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-2-(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-[2,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-2-(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 4475.95 g/mol, XLogP of 42.19, 33 rotatable bonds, 12 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-[2,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione;5-[2-[4-[2,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;5-[2-[4-[2,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;5-[2-[4-[2,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]sulfonyl-2-methylisoindole-1,3-dione;5-[2-[2-[4-[2,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-2-(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-[2,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-2-(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 157461971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).