5-[2-[2-(5-acetyl-2,3-dimethylphenyl)-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;5-[2-[2-(3-acetyl-2,4,5,6-tetramethylphenyl)-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;5-[2-[2-[5-(1,1-difluoroethyl)-2,3-dimethylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;bis(5-[2-[2-[3-(1,1-difluoroethyl)-2,4,5,6-tetramethylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione);5-[2-[2-[2,3-dimethyl-5-(3,3,3-trifluoropropanoyl)phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;heptakis(3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-5-methylbenzoic acid);5-[2-[2-(3-ethyl-2,4,5,6-tetramethylphenyl)-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione

C415H311F51N28O73 — CID 165040752

IUPAC5-[2-[2-(5-acetyl-2,3-dimethylphenyl)-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;5-[2-[2-(3-acetyl-2,4,5,6-tetramethylphenyl)-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;5-[2-[2-[5-(1,1-difluoroethyl)-2,3-dimethylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;bis(5-[2-[2-[3-(1,1-difluoroethyl)-2,4,5,6-tetramethylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione);5-[2-[2-[2,3-dimethyl-5-(3,3,3-trifluoropropanoyl)phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;heptakis(3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-5-methylbenzoic acid);5-[2-[2-(3-ethyl-2,4,5,6-tetramethylphenyl)-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione
SMILESCC(=O)c1c(C)c(C)c(C)c(N2C(=O)c3ccc(C(C)(c4ccc5c(c4)C(=O)N(C)C5=O)C(F)(F)F)cc3C2=O)c1C.CC(=O)c1cc(C)c(C)c(N2C(=O)c3ccc(C(C)(c4ccc5c(c4)C(=O)N(C)C5=O)C(F)(F)F)cc3C2=O)c1.CCc1c(C)c(C)c(C)c(N2C(=O)c3ccc(C(C)(c4ccc5c(c4)C(=O)N(C)C5=O)C(F)(F)F)cc3C2=O)c1C.Cc1c(C)c(N2C(=O)c3ccc(C(C)(c4ccc5c(c4)C(=O)N(C)C5=O)C(F)(F)F)cc3C2=O)c(C)c(C(C)(F)F)c1C.Cc1c(C)c(N2C(=O)c3ccc(C(C)(c4ccc5c(c4)C(=O)N(C)C5=O)C(F)(F)F)cc3C2=O)c(C)c(C(C)(F)F)c1C.Cc1cc(C(=O)CC(F)(F)F)cc(N2C(=O)c3ccc(C(C)(c4ccc5c(c4)C(=O)N(C)C5=O)C(F)(F)F)cc3C2=O)c1C.Cc1cc(C(=O)O)cc(N2C(=O)c3ccc(C(C)(c4ccc5c(c4)C(=O)N(C)C5=O)C(F)(F)F)cc3C2=O)c1.Cc1cc(C(=O)O)cc(N2C(=O)c3ccc(C(C)(c4ccc5c(c4)C(=O)N(C)C5=O)C(F)(F)F)cc3C2=O)c1.Cc1cc(C(=O)O)cc(N2C(=O)c3ccc(C(C)(c4ccc5c(c4)C(=O)N(C)C5=O)C(F)(F)F)cc3C2=O)c1.Cc1cc(C(=O)O)cc(N2C(=O)c3ccc(C(C)(c4ccc5c(c4)C(=O)N(C)C5=O)C(F)(F)F)cc3C2=O)c1.Cc1cc(C(=O)O)cc(N2C(=O)c3ccc(C(C)(c4ccc5c(c4)C(=O)N(C)C5=O)C(F)(F)F)cc3C2=O)c1.Cc1cc(C(=O)O)cc(N2C(=O)c3ccc(C(C)(c4ccc5c(c4)C(=O)N(C)C5=O)C(F)(F)F)cc3C2=O)c1.Cc1cc(C(=O)O)cc(N2C(=O)c3ccc(C(C)(c4ccc5c(c4)C(=O)N(C)C5=O)C(F)(F)F)cc3C2=O)c1.Cc1cc(C(C)(F)F)cc(N2C(=O)c3ccc(C(C)(c4ccc5c(c4)C(=O)N(C)C5=O)C(F)(F)F)cc3C2=O)c1C
InChIInChI=1S/2C32H27F5N2O4.C32H27F3N2O5.C32H29F3N2O4.C31H22F6N2O5.C30H23F5N2O4.C30H23F3N2O5.7C28H19F3N2O6/c2*1-14-15(2)24(31(6,33)34)17(4)25(16(14)3)39-28(42)21-11-9-19(13-23(21)29(39)43)30(5,32(35,36)37)18-8-10-20-22(12-18)27(41)38(7)26(20)40;1-14-15(2)25(18(5)38)17(4)26(16(14)3)37-29(41)22-11-9-20(13-24(22)30(37)42)31(6,32(33,34)35)19-8-10-21-23(12-19)28(40)36(7)27(21)39;1-8-21-16(3)15(2)17(4)26(18(21)5)37-29(40)23-12-10-20(14-25(23)30(37)41)31(6,32(33,34)35)19-9-11-22-24(13-19)28(39)36(7)27(22)38;1-14-9-16(24(40)13-30(32,33)34)10-23(15(14)2)39-27(43)20-8-6-18(12-22(20)28(39)44)29(3,31(35,36)37)17-5-7-19-21(11-17)26(42)38(4)25(19)41;1-14-10-18(29(4,31)32)13-23(15(14)2)37-26(40)20-9-7-17(12-22(20)27(37)41)28(3,30(33,34)35)16-6-8-19-21(11-16)25(39)36(5)24(19)38;1-14-10-17(16(3)36)11-24(15(14)2)35-27(39)21-9-7-19(13-23(21)28(35)40)29(4,30(31,32)33)18-6-8-20-22(12-18)26(38)34(5)25(20)37;7*1-13-8-14(26(38)39)10-17(9-13)33-24(36)19-7-5-16(12-21(19)25(33)37)27(2,28(29,30)31)15-4-6-18-20(11-15)23(35)32(3)22(18)34/h2*8-13H,1-7H3;8-13H,1-7H3;9-14H,8H2,1-7H3;5-12H,13H2,1-4H3;6-13H,1-5H3;6-13H,1-5H3;7*4-12H,1-3H3,(H,38,39)
InChIKeyOBZGSPORJWMNFQ-UHFFFAOYSA-N
MW7827.07 g/mol
LogP76.41
Rot. Bonds57

About 5-[2-[2-(5-acetyl-2,3-dimethylphenyl)-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;5-[2-[2-(3-acetyl-2,4,5,6-tetramethylphenyl)-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;5-[2-[2-[5-(1,1-difluoroethyl)-2,3-dimethylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;bis(5-[2-[2-[3-(1,1-difluoroethyl)-2,4,5,6-tetramethylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione);5-[2-[2-[2,3-dimethyl-5-(3,3,3-trifluoropropanoyl)phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;heptakis(3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-5-methylbenzoic acid);5-[2-[2-(3-ethyl-2,4,5,6-tetramethylphenyl)-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione

5-[2-[2-(5-acetyl-2,3-dimethylphenyl)-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;5-[2-[2-(3-acetyl-2,4,5,6-tetramethylphenyl)-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;5-[2-[2-[5-(1,1-difluoroethyl)-2,3-dimethylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;bis(5-[2-[2-[3-(1,1-difluoroethyl)-2,4,5,6-tetramethylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione);5-[2-[2-[2,3-dimethyl-5-(3,3,3-trifluoropropanoyl)phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;heptakis(3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-5-methylbenzoic acid);5-[2-[2-(3-ethyl-2,4,5,6-tetramethylphenyl)-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione (PubChem CID 165040752) has the molecular formula C415H311F51N28O73 and a molecular weight of 7827.07 g/mol. Its IUPAC name is 5-[2-[2-(5-acetyl-2,3-dimethylphenyl)-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;5-[2-[2-(3-acetyl-2,4,5,6-tetramethylphenyl)-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;5-[2-[2-[5-(1,1-difluoroethyl)-2,3-dimethylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;bis(5-[2-[2-[3-(1,1-difluoroethyl)-2,4,5,6-tetramethylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione);5-[2-[2-[2,3-dimethyl-5-(3,3,3-trifluoropropanoyl)phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;heptakis(3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-5-methylbenzoic acid);5-[2-[2-(3-ethyl-2,4,5,6-tetramethylphenyl)-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione.

Molecular Properties

Compound Name5-[2-[2-(5-acetyl-2,3-dimethylphenyl)-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;5-[2-[2-(3-acetyl-2,4,5,6-tetramethylphenyl)-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;5-[2-[2-[5-(1,1-difluoroethyl)-2,3-dimethylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;bis(5-[2-[2-[3-(1,1-difluoroethyl)-2,4,5,6-tetramethylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione);5-[2-[2-[2,3-dimethyl-5-(3,3,3-trifluoropropanoyl)phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;heptakis(3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-5-methylbenzoic acid);5-[2-[2-(3-ethyl-2,4,5,6-tetramethylphenyl)-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione
PubChem CID165040752
Molecular FormulaC415H311F51N28O73
Molecular Weight7827.07 g/mol
Exact Mass7822.07
IUPAC Name5-[2-[2-(5-acetyl-2,3-dimethylphenyl)-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;5-[2-[2-(3-acetyl-2,4,5,6-tetramethylphenyl)-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;5-[2-[2-[5-(1,1-difluoroethyl)-2,3-dimethylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;bis(5-[2-[2-[3-(1,1-difluoroethyl)-2,4,5,6-tetramethylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione);5-[2-[2-[2,3-dimethyl-5-(3,3,3-trifluoropropanoyl)phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;heptakis(3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-5-methylbenzoic acid);5-[2-[2-(3-ethyl-2,4,5,6-tetramethylphenyl)-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione
SMILESCC(=O)c1c(C)c(C)c(C)c(N2C(=O)c3ccc(C(C)(c4ccc5c(c4)C(=O)N(C)C5=O)C(F)(F)F)cc3C2=O)c1C.CC(=O)c1cc(C)c(C)c(N2C(=O)c3ccc(C(C)(c4ccc5c(c4)C(=O)N(C)C5=O)C(F)(F)F)cc3C2=O)c1.CCc1c(C)c(C)c(C)c(N2C(=O)c3ccc(C(C)(c4ccc5c(c4)C(=O)N(C)C5=O)C(F)(F)F)cc3C2=O)c1C.Cc1c(C)c(N2C(=O)c3ccc(C(C)(c4ccc5c(c4)C(=O)N(C)C5=O)C(F)(F)F)cc3C2=O)c(C)c(C(C)(F)F)c1C.Cc1c(C)c(N2C(=O)c3ccc(C(C)(c4ccc5c(c4)C(=O)N(C)C5=O)C(F)(F)F)cc3C2=O)c(C)c(C(C)(F)F)c1C.Cc1cc(C(=O)CC(F)(F)F)cc(N2C(=O)c3ccc(C(C)(c4ccc5c(c4)C(=O)N(C)C5=O)C(F)(F)F)cc3C2=O)c1C.Cc1cc(C(=O)O)cc(N2C(=O)c3ccc(C(C)(c4ccc5c(c4)C(=O)N(C)C5=O)C(F)(F)F)cc3C2=O)c1.Cc1cc(C(=O)O)cc(N2C(=O)c3ccc(C(C)(c4ccc5c(c4)C(=O)N(C)C5=O)C(F)(F)F)cc3C2=O)c1.Cc1cc(C(=O)O)cc(N2C(=O)c3ccc(C(C)(c4ccc5c(c4)C(=O)N(C)C5=O)C(F)(F)F)cc3C2=O)c1.Cc1cc(C(=O)O)cc(N2C(=O)c3ccc(C(C)(c4ccc5c(c4)C(=O)N(C)C5=O)C(F)(F)F)cc3C2=O)c1.Cc1cc(C(=O)O)cc(N2C(=O)c3ccc(C(C)(c4ccc5c(c4)C(=O)N(C)C5=O)C(F)(F)F)cc3C2=O)c1.Cc1cc(C(=O)O)cc(N2C(=O)c3ccc(C(C)(c4ccc5c(c4)C(=O)N(C)C5=O)C(F)(F)F)cc3C2=O)c1.Cc1cc(C(=O)O)cc(N2C(=O)c3ccc(C(C)(c4ccc5c(c4)C(=O)N(C)C5=O)C(F)(F)F)cc3C2=O)c1.Cc1cc(C(C)(F)F)cc(N2C(=O)c3ccc(C(C)(c4ccc5c(c4)C(=O)N(C)C5=O)C(F)(F)F)cc3C2=O)c1C
InChIInChI=1S/2C32H27F5N2O4.C32H27F3N2O5.C32H29F3N2O4.C31H22F6N2O5.C30H23F5N2O4.C30H23F3N2O5.7C28H19F3N2O6/c2*1-14-15(2)24(31(6,33)34)17(4)25(16(14)3)39-28(42)21-11-9-19(13-23(21)29(39)43)30(5,32(35,36)37)18-8-10-20-22(12-18)27(41)38(7)26(20)40;1-14-15(2)25(18(5)38)17(4)26(16(14)3)37-29(41)22-11-9-20(13-24(22)30(37)42)31(6,32(33,34)35)19-8-10-21-23(12-19)28(40)36(7)27(21)39;1-8-21-16(3)15(2)17(4)26(18(21)5)37-29(40)23-12-10-20(14-25(23)30(37)41)31(6,32(33,34)35)19-9-11-22-24(13-19)28(39)36(7)27(22)38;1-14-9-16(24(40)13-30(32,33)34)10-23(15(14)2)39-27(43)20-8-6-18(12-22(20)28(39)44)29(3,31(35,36)37)17-5-7-19-21(11-17)26(42)38(4)25(19)41;1-14-10-18(29(4,31)32)13-23(15(14)2)37-26(40)20-9-7-17(12-22(20)27(37)41)28(3,30(33,34)35)16-6-8-19-21(11-16)25(39)36(5)24(19)38;1-14-10-17(16(3)36)11-24(15(14)2)35-27(39)21-9-7-19(13-23(21)28(35)40)29(4,30(31,32)33)18-6-8-20-22(12-18)26(38)34(5)25(20)37;7*1-13-8-14(26(38)39)10-17(9-13)33-24(36)19-7-5-16(12-21(19)25(33)37)27(2,28(29,30)31)15-4-6-18-20(11-15)23(35)32(3)22(18)34/h2*8-13H,1-7H3;8-13H,1-7H3;9-14H,8H2,1-7H3;5-12H,13H2,1-4H3;6-13H,1-5H3;6-13H,1-5H3;7*4-12H,1-3H3,(H,38,39)
InChIKeyOBZGSPORJWMNFQ-UHFFFAOYSA-N
XLogP76.41
TPSA1358.95 Ų
H-Bond Donors7
H-Bond Acceptors66
Rotatable Bonds57
Heavy Atoms567
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5007827.07
LogP ≤ 576.41
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1066

Analyze 5-[2-[2-(5-acetyl-2,3-dimethylphenyl)-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;5-[2-[2-(3-acetyl-2,4,5,6-tetramethylphenyl)-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;5-[2-[2-[5-(1,1-difluoroethyl)-2,3-dimethylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;bis(5-[2-[2-[3-(1,1-difluoroethyl)-2,4,5,6-tetramethylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione);5-[2-[2-[2,3-dimethyl-5-(3,3,3-trifluoropropanoyl)phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;heptakis(3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-5-methylbenzoic acid);5-[2-[2-(3-ethyl-2,4,5,6-tetramethylphenyl)-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione with MolForge

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What is the IUPAC name of 5-[2-[2-(5-acetyl-2,3-dimethylphenyl)-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;5-[2-[2-(3-acetyl-2,4,5,6-tetramethylphenyl)-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;5-[2-[2-[5-(1,1-difluoroethyl)-2,3-dimethylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;bis(5-[2-[2-[3-(1,1-difluoroethyl)-2,4,5,6-tetramethylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione);5-[2-[2-[2,3-dimethyl-5-(3,3,3-trifluoropropanoyl)phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;heptakis(3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-5-methylbenzoic acid);5-[2-[2-(3-ethyl-2,4,5,6-tetramethylphenyl)-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione?
The IUPAC name of 5-[2-[2-(5-acetyl-2,3-dimethylphenyl)-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;5-[2-[2-(3-acetyl-2,4,5,6-tetramethylphenyl)-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;5-[2-[2-[5-(1,1-difluoroethyl)-2,3-dimethylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;bis(5-[2-[2-[3-(1,1-difluoroethyl)-2,4,5,6-tetramethylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione);5-[2-[2-[2,3-dimethyl-5-(3,3,3-trifluoropropanoyl)phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;heptakis(3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-5-methylbenzoic acid);5-[2-[2-(3-ethyl-2,4,5,6-tetramethylphenyl)-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione (CID 165040752) is 5-[2-[2-(5-acetyl-2,3-dimethylphenyl)-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;5-[2-[2-(3-acetyl-2,4,5,6-tetramethylphenyl)-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;5-[2-[2-[5-(1,1-difluoroethyl)-2,3-dimethylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;bis(5-[2-[2-[3-(1,1-difluoroethyl)-2,4,5,6-tetramethylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione);5-[2-[2-[2,3-dimethyl-5-(3,3,3-trifluoropropanoyl)phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;heptakis(3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-5-methylbenzoic acid);5-[2-[2-(3-ethyl-2,4,5,6-tetramethylphenyl)-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione.
What is the SMILES notation for 5-[2-[2-(5-acetyl-2,3-dimethylphenyl)-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;5-[2-[2-(3-acetyl-2,4,5,6-tetramethylphenyl)-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;5-[2-[2-[5-(1,1-difluoroethyl)-2,3-dimethylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;bis(5-[2-[2-[3-(1,1-difluoroethyl)-2,4,5,6-tetramethylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione);5-[2-[2-[2,3-dimethyl-5-(3,3,3-trifluoropropanoyl)phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;heptakis(3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-5-methylbenzoic acid);5-[2-[2-(3-ethyl-2,4,5,6-tetramethylphenyl)-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione?
The canonical SMILES for 5-[2-[2-(5-acetyl-2,3-dimethylphenyl)-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;5-[2-[2-(3-acetyl-2,4,5,6-tetramethylphenyl)-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;5-[2-[2-[5-(1,1-difluoroethyl)-2,3-dimethylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;bis(5-[2-[2-[3-(1,1-difluoroethyl)-2,4,5,6-tetramethylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione);5-[2-[2-[2,3-dimethyl-5-(3,3,3-trifluoropropanoyl)phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;heptakis(3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-5-methylbenzoic acid);5-[2-[2-(3-ethyl-2,4,5,6-tetramethylphenyl)-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione is CC(=O)c1c(C)c(C)c(C)c(N2C(=O)c3ccc(C(C)(c4ccc5c(c4)C(=O)N(C)C5=O)C(F)(F)F)cc3C2=O)c1C.CC(=O)c1cc(C)c(C)c(N2C(=O)c3ccc(C(C)(c4ccc5c(c4)C(=O)N(C)C5=O)C(F)(F)F)cc3C2=O)c1.CCc1c(C)c(C)c(C)c(N2C(=O)c3ccc(C(C)(c4ccc5c(c4)C(=O)N(C)C5=O)C(F)(F)F)cc3C2=O)c1C.Cc1c(C)c(N2C(=O)c3ccc(C(C)(c4ccc5c(c4)C(=O)N(C)C5=O)C(F)(F)F)cc3C2=O)c(C)c(C(C)(F)F)c1C.Cc1c(C)c(N2C(=O)c3ccc(C(C)(c4ccc5c(c4)C(=O)N(C)C5=O)C(F)(F)F)cc3C2=O)c(C)c(C(C)(F)F)c1C.Cc1cc(C(=O)CC(F)(F)F)cc(N2C(=O)c3ccc(C(C)(c4ccc5c(c4)C(=O)N(C)C5=O)C(F)(F)F)cc3C2=O)c1C.Cc1cc(C(=O)O)cc(N2C(=O)c3ccc(C(C)(c4ccc5c(c4)C(=O)N(C)C5=O)C(F)(F)F)cc3C2=O)c1.Cc1cc(C(=O)O)cc(N2C(=O)c3ccc(C(C)(c4ccc5c(c4)C(=O)N(C)C5=O)C(F)(F)F)cc3C2=O)c1.Cc1cc(C(=O)O)cc(N2C(=O)c3ccc(C(C)(c4ccc5c(c4)C(=O)N(C)C5=O)C(F)(F)F)cc3C2=O)c1.Cc1cc(C(=O)O)cc(N2C(=O)c3ccc(C(C)(c4ccc5c(c4)C(=O)N(C)C5=O)C(F)(F)F)cc3C2=O)c1.Cc1cc(C(=O)O)cc(N2C(=O)c3ccc(C(C)(c4ccc5c(c4)C(=O)N(C)C5=O)C(F)(F)F)cc3C2=O)c1.Cc1cc(C(=O)O)cc(N2C(=O)c3ccc(C(C)(c4ccc5c(c4)C(=O)N(C)C5=O)C(F)(F)F)cc3C2=O)c1.Cc1cc(C(=O)O)cc(N2C(=O)c3ccc(C(C)(c4ccc5c(c4)C(=O)N(C)C5=O)C(F)(F)F)cc3C2=O)c1.Cc1cc(C(C)(F)F)cc(N2C(=O)c3ccc(C(C)(c4ccc5c(c4)C(=O)N(C)C5=O)C(F)(F)F)cc3C2=O)c1C.
What is the InChIKey of 5-[2-[2-(5-acetyl-2,3-dimethylphenyl)-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;5-[2-[2-(3-acetyl-2,4,5,6-tetramethylphenyl)-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;5-[2-[2-[5-(1,1-difluoroethyl)-2,3-dimethylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;bis(5-[2-[2-[3-(1,1-difluoroethyl)-2,4,5,6-tetramethylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione);5-[2-[2-[2,3-dimethyl-5-(3,3,3-trifluoropropanoyl)phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;heptakis(3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-5-methylbenzoic acid);5-[2-[2-(3-ethyl-2,4,5,6-tetramethylphenyl)-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione?
The InChIKey is OBZGSPORJWMNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C32H27F5N2O4.C32H27F3N2O5.C32H29F3N2O4.C31H22F6N2O5.C30H23F5N2O4.C30H23F3N2O5.7C28H19F3N2O6/c2*1-14-15(2)24(31(6,33)34)17(4)25(16(14)3)39-28(42)21-11-9-19(13-23(21)29(39)43)30(5,32(35,36)37)18-8-10-20-22(12-18)27(41)38(7)26(20)40;1-14-15(2)25(18(5)38)17(4)26(16(14)3)37-29(41)22-11-9-20(13-24(22)30(37)42)31(6,32(33,34)35)19-8-10-21-23(12-19)28(40)36(7)27(21)39;1-8-21-16(3)15(2)17(4)26(18(21)5)37-29(40)23-12-10-20(14-25(23)30(37)41)31(6,32(33,34)35)19-9-11-22-24(13-19)28(39)36(7)27(22)38;1-14-9-16(24(40)13-30(32,33)34)10-23(15(14)2)39-27(43)20-8-6-18(12-22(20)28(39)44)29(3,31(35,36)37)17-5-7-19-21(11-17)26(42)38(4)25(19)41;1-14-10-18(29(4,31)32)13-23(15(14)2)37-26(40)20-9-7-17(12-22(20)27(37)41)28(3,30(33,34)35)16-6-8-19-21(11-16)25(39)36(5)24(19)38;1-14-10-17(16(3)36)11-24(15(14)2)35-27(39)21-9-7-19(13-23(21)28(35)40)29(4,30(31,32)33)18-6-8-20-22(12-18)26(38)34(5)25(20)37;7*1-13-8-14(26(38)39)10-17(9-13)33-24(36)19-7-5-16(12-21(19)25(33)37)27(2,28(29,30)31)15-4-6-18-20(11-15)23(35)32(3)22(18)34/h2*8-13H,1-7H3;8-13H,1-7H3;9-14H,8H2,1-7H3;5-12H,13H2,1-4H3;6-13H,1-5H3;6-13H,1-5H3;7*4-12H,1-3H3,(H,38,39).
What are the key properties of 5-[2-[2-(5-acetyl-2,3-dimethylphenyl)-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;5-[2-[2-(3-acetyl-2,4,5,6-tetramethylphenyl)-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;5-[2-[2-[5-(1,1-difluoroethyl)-2,3-dimethylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;bis(5-[2-[2-[3-(1,1-difluoroethyl)-2,4,5,6-tetramethylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione);5-[2-[2-[2,3-dimethyl-5-(3,3,3-trifluoropropanoyl)phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;heptakis(3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-5-methylbenzoic acid);5-[2-[2-(3-ethyl-2,4,5,6-tetramethylphenyl)-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione?
5-[2-[2-(5-acetyl-2,3-dimethylphenyl)-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;5-[2-[2-(3-acetyl-2,4,5,6-tetramethylphenyl)-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;5-[2-[2-[5-(1,1-difluoroethyl)-2,3-dimethylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;bis(5-[2-[2-[3-(1,1-difluoroethyl)-2,4,5,6-tetramethylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione);5-[2-[2-[2,3-dimethyl-5-(3,3,3-trifluoropropanoyl)phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;heptakis(3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-5-methylbenzoic acid);5-[2-[2-(3-ethyl-2,4,5,6-tetramethylphenyl)-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione has a molecular weight of 7827.07 g/mol, XLogP of 76.41, 57 rotatable bonds, 7 hydrogen bond donors, and 66 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-(5-acetyl-2,3-dimethylphenyl)-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;5-[2-[2-(3-acetyl-2,4,5,6-tetramethylphenyl)-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;5-[2-[2-[5-(1,1-difluoroethyl)-2,3-dimethylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;bis(5-[2-[2-[3-(1,1-difluoroethyl)-2,4,5,6-tetramethylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione);5-[2-[2-[2,3-dimethyl-5-(3,3,3-trifluoropropanoyl)phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;heptakis(3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-5-methylbenzoic acid);5-[2-[2-(3-ethyl-2,4,5,6-tetramethylphenyl)-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione is sourced from PubChem (CID 165040752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).