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

C311H220F8N18O14 — CID 157313606

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

6-methyl-2-[4-(4-methylphenoxy)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;6-methyl-2-[4-[1,1,1,3,3-pentafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;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;2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis-phenyl-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 157313606) has the molecular formula C311H220F8N18O14 and a molecular weight of 4585.28 g/mol. Its IUPAC name is 6-methyl-2-[4-(4-methylphenoxy)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;6-methyl-2-[4-[1,1,1,3,3-pentafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;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;2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis-phenyl-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 Name: 6-methyl-2-[4-(4-methylphenoxy)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;6-methyl-2-[4-[1,1,1,3,3-pentafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;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;2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis-phenyl-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: 157313606
• Molecular Formula: C311H220F8N18O14
• Molecular Weight: 4585.28 g/mol
• Exact Mass: 4581.69
• IUPAC Name: 6-methyl-2-[4-(4-methylphenoxy)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;6-methyl-2-[4-[1,1,1,3,3-pentafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;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;2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis-phenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine;9-[2',7,7'-tri(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]carbazole
• SMILES: Cc1ccc(C(c2ccc(-n3c(=O)c4cc5c(=O)n(C)c(=O)c5cc4c3=O)cc2)(C(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.c1ccc(N(c2ccccc2)c2ccc3c(c2)C2(c4cc(N(c5ccccc5)c5ccccc5)ccc4-3)c3cc(N(c4ccccc4)c4ccccc4)ccc3-c3ccc(N(c4ccccc4)c4ccccc4)cc32)cc1.c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)C1(c3cc(-n4c5ccccc5c5ccccc54)ccc3-2)c2cc(-n3c4ccccc4c4ccccc43)ccc2-c2ccc(-n3c4ccccc4c4ccccc43)cc21
• InChI: InChI=1S/C81H68N4.C73H44N4.C73H52N4.C33H23F3N2O5.C27H17F5N2O4.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;1-9-25-53(26-10-1)74(54-27-11-2-12-28-54)61-41-45-65-66-46-42-62(75(55-29-13-3-14-30-55)56-31-15-4-16-32-56)50-70(66)73(69(65)49-61)71-51-63(76(57-33-17-5-18-34-57)58-35-19-6-20-36-58)43-47-67(71)68-48-44-64(52-72(68)73)77(59-37-21-7-22-38-59)60-39-23-8-24-40-60;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)26(25(28)29,27(30,31)32)15-7-9-16(10-8-15)34-23(37)19-11-17-18(12-20(19)24(34)38)22(36)33(2)21(17)35;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;1-52H;4-17H,1-3H3;3-12,25H,1-2H3;3-12H,1-2H3
• InChIKey: BDIFJGYICOGWTM-UHFFFAOYSA-N
• XLogP: 73.79
• TPSA: 295.14 Ų
• H-Bond Acceptors: 30
• Rotatable Bonds: 40
• Heavy Atoms: 351
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4585.28
LogP ≤ 5	73.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[4-(4-methylphenoxy)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;6-methyl-2-[4-[1,1,1,3,3-pentafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;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;2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis-phenyl-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 6-methyl-2-[4-(4-methylphenoxy)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;6-methyl-2-[4-[1,1,1,3,3-pentafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;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;2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis-phenyl-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 157313606) is 6-methyl-2-[4-(4-methylphenoxy)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;6-methyl-2-[4-[1,1,1,3,3-pentafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;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;2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis-phenyl-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 6-methyl-2-[4-(4-methylphenoxy)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;6-methyl-2-[4-[1,1,1,3,3-pentafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;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;2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis-phenyl-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 6-methyl-2-[4-(4-methylphenoxy)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;6-methyl-2-[4-[1,1,1,3,3-pentafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;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;2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis-phenyl-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)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.c1ccc(N(c2ccccc2)c2ccc3c(c2)C2(c4cc(N(c5ccccc5)c5ccccc5)ccc4-3)c3cc(N(c4ccccc4)c4ccccc4)ccc3-c3ccc(N(c4ccccc4)c4ccccc4)cc32)cc1.c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)C1(c3cc(-n4c5ccccc5c5ccccc54)ccc3-2)c2cc(-n3c4ccccc4c4ccccc43)ccc2-c2ccc(-n3c4ccccc4c4ccccc43)cc21.

What is the InChIKey of 6-methyl-2-[4-(4-methylphenoxy)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;6-methyl-2-[4-[1,1,1,3,3-pentafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;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;2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis-phenyl-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 BDIFJGYICOGWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H68N4.C73H44N4.C73H52N4.C33H23F3N2O5.C27H17F5N2O4.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;1-9-25-53(26-10-1)74(54-27-11-2-12-28-54)61-41-45-65-66-46-42-62(75(55-29-13-3-14-30-55)56-31-15-4-16-32-56)50-70(66)73(69(65)49-61)71-51-63(76(57-33-17-5-18-34-57)58-35-19-6-20-36-58)43-47-67(71)68-48-44-64(52-72(68)73)77(59-37-21-7-22-38-59)60-39-23-8-24-40-60;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)26(25(28)29,27(30,31)32)15-7-9-16(10-8-15)34-23(37)19-11-17-18(12-20(19)24(34)38)22(36)33(2)21(17)35;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;1-52H;4-17H,1-3H3;3-12,25H,1-2H3;3-12H,1-2H3.

What are the key properties of 6-methyl-2-[4-(4-methylphenoxy)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;6-methyl-2-[4-[1,1,1,3,3-pentafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;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;2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis-phenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine;9-[2',7,7'-tri(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]carbazole?

6-methyl-2-[4-(4-methylphenoxy)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;6-methyl-2-[4-[1,1,1,3,3-pentafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;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;2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis-phenyl-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 4585.28 g/mol, XLogP of 73.79, 40 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methyl-2-[4-(4-methylphenoxy)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;6-methyl-2-[4-[1,1,1,3,3-pentafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;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;2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis-phenyl-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 157313606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).