2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;6-methyl-2-[4-(4-methylphenoxy)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-methyl-5-[1,1,1-trifluoro-2-[2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindole-1,3-dione;2-methyl-5-[1,1,1-trifluoro-2-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindole-1,3-dione;2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis(3-methylphenyl)-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine;9-[2',7,7'-tri(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]carbazole

C274H190F18N16O18 — CID 162241320

IUPAC2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;6-methyl-2-[4-(4-methylphenoxy)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-methyl-5-[1,1,1-trifluoro-2-[2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindole-1,3-dione;2-methyl-5-[1,1,1-trifluoro-2-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindole-1,3-dione;2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis(3-methylphenyl)-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine;9-[2',7,7'-tri(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]carbazole
SMILESCc1ccc(C(c2ccc(-n3c(=O)c4cc5c(=O)n(C)c(=O)c5cc4c3=O)cc2)(C(F)(F)F)C(F)(F)F)cc1.Cc1ccc(C(c2ccc(N3C(=O)c4ccc(C(C)(c5ccc6c(c5)C(=O)N(C)C6=O)C(F)(F)F)cc4C3=O)cc2)(C(F)(F)F)C(F)(F)F)cc1.Cc1ccc(Oc2ccc(-n3c(=O)c4cc5c(=O)n(C)c(=O)c5cc4c3=O)cc2)cc1.Cc1ccc(Oc2ccc(N3C(=O)c4ccc(C(C)(c5ccc6c(c5)C(=O)N(C)C6=O)C(F)(F)F)cc4C3=O)cc2)cc1.Cc1cccc(N(c2cccc(C)c2)c2ccc3c(c2)C2(c4cc(N(c5cccc(C)c5)c5cccc(C)c5)ccc4-3)c3cc(N(c4cccc(C)c4)c4cccc(C)c4)ccc3-c3ccc(N(c4cccc(C)c4)c4cccc(C)c4)cc32)c1.c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)C1(c3cc(-n4c5ccccc5c5ccccc54)ccc3-2)c2cc(-n3c4ccccc4c4ccccc43)ccc2-c2ccc(-n3c4ccccc4c4ccccc43)cc21
InChIInChI=1S/C81H68N4.C73H44N4.C36H23F9N2O4.C33H23F3N2O5.C27H16F6N2O4.C24H16N2O5/c1-53-17-9-25-61(41-53)82(62-26-10-18-54(2)42-62)69-33-37-73-74-38-34-70(83(63-27-11-19-55(3)43-63)64-28-12-20-56(4)44-64)50-78(74)81(77(73)49-69)79-51-71(84(65-29-13-21-57(5)45-65)66-30-14-22-58(6)46-66)35-39-75(79)76-40-36-72(52-80(76)81)85(67-31-15-23-59(7)47-67)68-32-16-24-60(8)48-68;1-9-25-65-53(17-1)54-18-2-10-26-66(54)74(65)45-33-37-49-50-38-34-46(75-67-27-11-3-19-55(67)56-20-4-12-28-68(56)75)42-62(50)73(61(49)41-45)63-43-47(76-69-29-13-5-21-57(69)58-22-6-14-30-70(58)76)35-39-51(63)52-40-36-48(44-64(52)73)77-71-31-15-7-23-59(71)60-24-8-16-32-72(60)77;1-18-4-6-19(7-5-18)33(35(40,41)42,36(43,44)45)20-8-12-23(13-9-20)47-30(50)25-15-11-22(17-27(25)31(47)51)32(2,34(37,38)39)21-10-14-24-26(16-21)29(49)46(3)28(24)48;1-18-4-10-22(11-5-18)43-23-12-8-21(9-13-23)38-30(41)25-15-7-20(17-27(25)31(38)42)32(2,33(34,35)36)19-6-14-24-26(16-19)29(40)37(3)28(24)39;1-13-3-5-14(6-4-13)25(26(28,29)30,27(31,32)33)15-7-9-16(10-8-15)35-23(38)19-11-17-18(12-20(19)24(35)39)22(37)34(2)21(17)36;1-13-3-7-15(8-4-13)31-16-9-5-14(6-10-16)26-23(29)19-11-17-18(12-20(19)24(26)30)22(28)25(2)21(17)27/h9-52H,1-8H3;1-44H;4-17H,1-3H3;4-17H,1-3H3;3-12H,1-2H3;3-12H,1-2H3
InChIKeyZWSZHNSYSSKICN-UHFFFAOYSA-N
MW4336.59 g/mol
LogP62.47
Rot. Bonds32

About 2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;6-methyl-2-[4-(4-methylphenoxy)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-methyl-5-[1,1,1-trifluoro-2-[2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindole-1,3-dione;2-methyl-5-[1,1,1-trifluoro-2-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindole-1,3-dione;2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis(3-methylphenyl)-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine;9-[2',7,7'-tri(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]carbazole

2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;6-methyl-2-[4-(4-methylphenoxy)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-methyl-5-[1,1,1-trifluoro-2-[2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindole-1,3-dione;2-methyl-5-[1,1,1-trifluoro-2-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindole-1,3-dione;2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis(3-methylphenyl)-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine;9-[2',7,7'-tri(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]carbazole (PubChem CID 162241320) has the molecular formula C274H190F18N16O18 and a molecular weight of 4336.59 g/mol. Its IUPAC name is 2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;6-methyl-2-[4-(4-methylphenoxy)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-methyl-5-[1,1,1-trifluoro-2-[2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindole-1,3-dione;2-methyl-5-[1,1,1-trifluoro-2-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindole-1,3-dione;2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis(3-methylphenyl)-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine;9-[2',7,7'-tri(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]carbazole.

Molecular Properties

Compound Name2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;6-methyl-2-[4-(4-methylphenoxy)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-methyl-5-[1,1,1-trifluoro-2-[2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindole-1,3-dione;2-methyl-5-[1,1,1-trifluoro-2-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindole-1,3-dione;2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis(3-methylphenyl)-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine;9-[2',7,7'-tri(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]carbazole
PubChem CID162241320
Molecular FormulaC274H190F18N16O18
Molecular Weight4336.59 g/mol
Exact Mass4333.42
IUPAC Name2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;6-methyl-2-[4-(4-methylphenoxy)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-methyl-5-[1,1,1-trifluoro-2-[2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindole-1,3-dione;2-methyl-5-[1,1,1-trifluoro-2-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindole-1,3-dione;2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis(3-methylphenyl)-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine;9-[2',7,7'-tri(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]carbazole
SMILESCc1ccc(C(c2ccc(-n3c(=O)c4cc5c(=O)n(C)c(=O)c5cc4c3=O)cc2)(C(F)(F)F)C(F)(F)F)cc1.Cc1ccc(C(c2ccc(N3C(=O)c4ccc(C(C)(c5ccc6c(c5)C(=O)N(C)C6=O)C(F)(F)F)cc4C3=O)cc2)(C(F)(F)F)C(F)(F)F)cc1.Cc1ccc(Oc2ccc(-n3c(=O)c4cc5c(=O)n(C)c(=O)c5cc4c3=O)cc2)cc1.Cc1ccc(Oc2ccc(N3C(=O)c4ccc(C(C)(c5ccc6c(c5)C(=O)N(C)C6=O)C(F)(F)F)cc4C3=O)cc2)cc1.Cc1cccc(N(c2cccc(C)c2)c2ccc3c(c2)C2(c4cc(N(c5cccc(C)c5)c5cccc(C)c5)ccc4-3)c3cc(N(c4cccc(C)c4)c4cccc(C)c4)ccc3-c3ccc(N(c4cccc(C)c4)c4cccc(C)c4)cc32)c1.c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)C1(c3cc(-n4c5ccccc5c5ccccc54)ccc3-2)c2cc(-n3c4ccccc4c4ccccc43)ccc2-c2ccc(-n3c4ccccc4c4ccccc43)cc21
InChIInChI=1S/C81H68N4.C73H44N4.C36H23F9N2O4.C33H23F3N2O5.C27H16F6N2O4.C24H16N2O5/c1-53-17-9-25-61(41-53)82(62-26-10-18-54(2)42-62)69-33-37-73-74-38-34-70(83(63-27-11-19-55(3)43-63)64-28-12-20-56(4)44-64)50-78(74)81(77(73)49-69)79-51-71(84(65-29-13-21-57(5)45-65)66-30-14-22-58(6)46-66)35-39-75(79)76-40-36-72(52-80(76)81)85(67-31-15-23-59(7)47-67)68-32-16-24-60(8)48-68;1-9-25-65-53(17-1)54-18-2-10-26-66(54)74(65)45-33-37-49-50-38-34-46(75-67-27-11-3-19-55(67)56-20-4-12-28-68(56)75)42-62(50)73(61(49)41-45)63-43-47(76-69-29-13-5-21-57(69)58-22-6-14-30-70(58)76)35-39-51(63)52-40-36-48(44-64(52)73)77-71-31-15-7-23-59(71)60-24-8-16-32-72(60)77;1-18-4-6-19(7-5-18)33(35(40,41)42,36(43,44)45)20-8-12-23(13-9-20)47-30(50)25-15-11-22(17-27(25)31(47)51)32(2,34(37,38)39)21-10-14-24-26(16-21)29(49)46(3)28(24)48;1-18-4-10-22(11-5-18)43-23-12-8-21(9-13-23)38-30(41)25-15-7-20(17-27(25)31(38)42)32(2,33(34,35)36)19-6-14-24-26(16-19)29(40)37(3)28(24)39;1-13-3-5-14(6-4-13)25(26(28,29)30,27(31,32)33)15-7-9-16(10-8-15)35-23(38)19-11-17-18(12-20(19)24(35)39)22(37)34(2)21(17)36;1-13-3-7-15(8-4-13)31-16-9-5-14(6-10-16)26-23(29)19-11-17-18(12-20(19)24(26)30)22(28)25(2)21(17)27/h9-52H,1-8H3;1-44H;4-17H,1-3H3;4-17H,1-3H3;3-12H,1-2H3;3-12H,1-2H3
InChIKeyZWSZHNSYSSKICN-UHFFFAOYSA-N
XLogP62.47
TPSA356.94 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds32
Heavy Atoms326
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004336.59
LogP ≤ 562.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

Analyze 2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;6-methyl-2-[4-(4-methylphenoxy)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-methyl-5-[1,1,1-trifluoro-2-[2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindole-1,3-dione;2-methyl-5-[1,1,1-trifluoro-2-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindole-1,3-dione;2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis(3-methylphenyl)-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine;9-[2',7,7'-tri(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;6-methyl-2-[4-(4-methylphenoxy)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-methyl-5-[1,1,1-trifluoro-2-[2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindole-1,3-dione;2-methyl-5-[1,1,1-trifluoro-2-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindole-1,3-dione;2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis(3-methylphenyl)-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine;9-[2',7,7'-tri(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]carbazole?
The IUPAC name of 2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;6-methyl-2-[4-(4-methylphenoxy)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-methyl-5-[1,1,1-trifluoro-2-[2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindole-1,3-dione;2-methyl-5-[1,1,1-trifluoro-2-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindole-1,3-dione;2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis(3-methylphenyl)-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine;9-[2',7,7'-tri(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]carbazole (CID 162241320) is 2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;6-methyl-2-[4-(4-methylphenoxy)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-methyl-5-[1,1,1-trifluoro-2-[2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindole-1,3-dione;2-methyl-5-[1,1,1-trifluoro-2-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindole-1,3-dione;2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis(3-methylphenyl)-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine;9-[2',7,7'-tri(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]carbazole.
What is the SMILES notation for 2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;6-methyl-2-[4-(4-methylphenoxy)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-methyl-5-[1,1,1-trifluoro-2-[2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindole-1,3-dione;2-methyl-5-[1,1,1-trifluoro-2-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindole-1,3-dione;2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis(3-methylphenyl)-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine;9-[2',7,7'-tri(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]carbazole?
The canonical SMILES for 2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;6-methyl-2-[4-(4-methylphenoxy)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-methyl-5-[1,1,1-trifluoro-2-[2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindole-1,3-dione;2-methyl-5-[1,1,1-trifluoro-2-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindole-1,3-dione;2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis(3-methylphenyl)-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine;9-[2',7,7'-tri(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]carbazole is Cc1ccc(C(c2ccc(-n3c(=O)c4cc5c(=O)n(C)c(=O)c5cc4c3=O)cc2)(C(F)(F)F)C(F)(F)F)cc1.Cc1ccc(C(c2ccc(N3C(=O)c4ccc(C(C)(c5ccc6c(c5)C(=O)N(C)C6=O)C(F)(F)F)cc4C3=O)cc2)(C(F)(F)F)C(F)(F)F)cc1.Cc1ccc(Oc2ccc(-n3c(=O)c4cc5c(=O)n(C)c(=O)c5cc4c3=O)cc2)cc1.Cc1ccc(Oc2ccc(N3C(=O)c4ccc(C(C)(c5ccc6c(c5)C(=O)N(C)C6=O)C(F)(F)F)cc4C3=O)cc2)cc1.Cc1cccc(N(c2cccc(C)c2)c2ccc3c(c2)C2(c4cc(N(c5cccc(C)c5)c5cccc(C)c5)ccc4-3)c3cc(N(c4cccc(C)c4)c4cccc(C)c4)ccc3-c3ccc(N(c4cccc(C)c4)c4cccc(C)c4)cc32)c1.c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)C1(c3cc(-n4c5ccccc5c5ccccc54)ccc3-2)c2cc(-n3c4ccccc4c4ccccc43)ccc2-c2ccc(-n3c4ccccc4c4ccccc43)cc21.
What is the InChIKey of 2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;6-methyl-2-[4-(4-methylphenoxy)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-methyl-5-[1,1,1-trifluoro-2-[2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindole-1,3-dione;2-methyl-5-[1,1,1-trifluoro-2-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindole-1,3-dione;2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis(3-methylphenyl)-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine;9-[2',7,7'-tri(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]carbazole?
The InChIKey is ZWSZHNSYSSKICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H68N4.C73H44N4.C36H23F9N2O4.C33H23F3N2O5.C27H16F6N2O4.C24H16N2O5/c1-53-17-9-25-61(41-53)82(62-26-10-18-54(2)42-62)69-33-37-73-74-38-34-70(83(63-27-11-19-55(3)43-63)64-28-12-20-56(4)44-64)50-78(74)81(77(73)49-69)79-51-71(84(65-29-13-21-57(5)45-65)66-30-14-22-58(6)46-66)35-39-75(79)76-40-36-72(52-80(76)81)85(67-31-15-23-59(7)47-67)68-32-16-24-60(8)48-68;1-9-25-65-53(17-1)54-18-2-10-26-66(54)74(65)45-33-37-49-50-38-34-46(75-67-27-11-3-19-55(67)56-20-4-12-28-68(56)75)42-62(50)73(61(49)41-45)63-43-47(76-69-29-13-5-21-57(69)58-22-6-14-30-70(58)76)35-39-51(63)52-40-36-48(44-64(52)73)77-71-31-15-7-23-59(71)60-24-8-16-32-72(60)77;1-18-4-6-19(7-5-18)33(35(40,41)42,36(43,44)45)20-8-12-23(13-9-20)47-30(50)25-15-11-22(17-27(25)31(47)51)32(2,34(37,38)39)21-10-14-24-26(16-21)29(49)46(3)28(24)48;1-18-4-10-22(11-5-18)43-23-12-8-21(9-13-23)38-30(41)25-15-7-20(17-27(25)31(38)42)32(2,33(34,35)36)19-6-14-24-26(16-19)29(40)37(3)28(24)39;1-13-3-5-14(6-4-13)25(26(28,29)30,27(31,32)33)15-7-9-16(10-8-15)35-23(38)19-11-17-18(12-20(19)24(35)39)22(37)34(2)21(17)36;1-13-3-7-15(8-4-13)31-16-9-5-14(6-10-16)26-23(29)19-11-17-18(12-20(19)24(26)30)22(28)25(2)21(17)27/h9-52H,1-8H3;1-44H;4-17H,1-3H3;4-17H,1-3H3;3-12H,1-2H3;3-12H,1-2H3.
What are the key properties of 2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;6-methyl-2-[4-(4-methylphenoxy)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-methyl-5-[1,1,1-trifluoro-2-[2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindole-1,3-dione;2-methyl-5-[1,1,1-trifluoro-2-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindole-1,3-dione;2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis(3-methylphenyl)-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine;9-[2',7,7'-tri(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]carbazole?
2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;6-methyl-2-[4-(4-methylphenoxy)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-methyl-5-[1,1,1-trifluoro-2-[2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindole-1,3-dione;2-methyl-5-[1,1,1-trifluoro-2-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindole-1,3-dione;2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis(3-methylphenyl)-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine;9-[2',7,7'-tri(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]carbazole has a molecular weight of 4336.59 g/mol, XLogP of 62.47, 32 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;6-methyl-2-[4-(4-methylphenoxy)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-methyl-5-[1,1,1-trifluoro-2-[2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindole-1,3-dione;2-methyl-5-[1,1,1-trifluoro-2-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindole-1,3-dione;2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis(3-methylphenyl)-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine;9-[2',7,7'-tri(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]carbazole is sourced from PubChem (CID 162241320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).