N-[4-[(2,4-dimethylcyclopentyl)methoxy]phenyl]-3-methyl-N-phenylaniline;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;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-[2',7,7'-tri(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]carbazole

C274H188F18N16O19 — CID 159051525

IUPACN-[4-[(2,4-dimethylcyclopentyl)methoxy]phenyl]-3-methyl-N-phenylaniline;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;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;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(c2ccccc2)c2ccc(OCC3CC(C)CC3C)cc2)c1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc4n5-c4ccccc4)ccc32)cc1.c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)C1(c3cc(-n4c5ccccc5c5ccccc54)ccc3-2)c2cc(-n3c4ccccc4c4ccccc43)ccc2-c2ccc(-n3c4ccccc4c4ccccc43)cc21
InChIInChI=1S/C73H44N4.C54H35N3.C36H23F9N2O4.C33H23F3N2O5.C27H16F6N2O4.C27H31NO.C24H16N2O5/c1-9-25-65-53(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;1-4-14-40(15-5-1)55-49-22-12-10-20-43(49)45-32-36(24-28-51(45)55)38-26-30-53-47(34-38)48-35-39(27-31-54(48)57(53)42-18-8-3-9-19-42)37-25-29-52-46(33-37)44-21-11-13-23-50(44)56(52)41-16-6-2-7-17-41;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;1-20-8-7-11-26(18-20)28(24-9-5-4-6-10-24)25-12-14-27(15-13-25)29-19-23-17-21(2)16-22(23)3;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/h1-44H;1-35H;4-17H,1-3H3;4-17H,1-3H3;3-12H,1-2H3;4-15,18,21-23H,16-17,19H2,1-3H3;3-12H,1-2H3
InChIKeyJXIBOZVGLAUYFG-UHFFFAOYSA-N
MW4350.57 g/mol
LogP61.94
Rot. Bonds31

About N-[4-[(2,4-dimethylcyclopentyl)methoxy]phenyl]-3-methyl-N-phenylaniline;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;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-[2',7,7'-tri(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]carbazole

N-[4-[(2,4-dimethylcyclopentyl)methoxy]phenyl]-3-methyl-N-phenylaniline;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;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-[2',7,7'-tri(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]carbazole (PubChem CID 159051525) has the molecular formula C274H188F18N16O19 and a molecular weight of 4350.57 g/mol. Its IUPAC name is N-[4-[(2,4-dimethylcyclopentyl)methoxy]phenyl]-3-methyl-N-phenylaniline;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;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-[2',7,7'-tri(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]carbazole.

Molecular Properties

Compound NameN-[4-[(2,4-dimethylcyclopentyl)methoxy]phenyl]-3-methyl-N-phenylaniline;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;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-[2',7,7'-tri(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]carbazole
PubChem CID159051525
Molecular FormulaC274H188F18N16O19
Molecular Weight4350.57 g/mol
Exact Mass4347.39
IUPAC NameN-[4-[(2,4-dimethylcyclopentyl)methoxy]phenyl]-3-methyl-N-phenylaniline;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;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;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(c2ccccc2)c2ccc(OCC3CC(C)CC3C)cc2)c1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc4n5-c4ccccc4)ccc32)cc1.c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)C1(c3cc(-n4c5ccccc5c5ccccc54)ccc3-2)c2cc(-n3c4ccccc4c4ccccc43)ccc2-c2ccc(-n3c4ccccc4c4ccccc43)cc21
InChIInChI=1S/C73H44N4.C54H35N3.C36H23F9N2O4.C33H23F3N2O5.C27H16F6N2O4.C27H31NO.C24H16N2O5/c1-9-25-65-53(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;1-4-14-40(15-5-1)55-49-22-12-10-20-43(49)45-32-36(24-28-51(45)55)38-26-30-53-47(34-38)48-35-39(27-31-54(48)57(53)42-18-8-3-9-19-42)37-25-29-52-46(33-37)44-21-11-13-23-50(44)56(52)41-16-6-2-7-17-41;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;1-20-8-7-11-26(18-20)28(24-9-5-4-6-10-24)25-12-14-27(15-13-25)29-19-23-17-21(2)16-22(23)3;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/h1-44H;1-35H;4-17H,1-3H3;4-17H,1-3H3;3-12H,1-2H3;4-15,18,21-23H,16-17,19H2,1-3H3;3-12H,1-2H3
InChIKeyJXIBOZVGLAUYFG-UHFFFAOYSA-N
XLogP61.94
TPSA371.24 Ų
H-Bond Donors
H-Bond Acceptors31
Rotatable Bonds31
Heavy Atoms327
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004350.57
LogP ≤ 561.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1031

Analyze N-[4-[(2,4-dimethylcyclopentyl)methoxy]phenyl]-3-methyl-N-phenylaniline;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;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;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 N-[4-[(2,4-dimethylcyclopentyl)methoxy]phenyl]-3-methyl-N-phenylaniline;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;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-[2',7,7'-tri(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]carbazole?
The IUPAC name of N-[4-[(2,4-dimethylcyclopentyl)methoxy]phenyl]-3-methyl-N-phenylaniline;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;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-[2',7,7'-tri(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]carbazole (CID 159051525) is N-[4-[(2,4-dimethylcyclopentyl)methoxy]phenyl]-3-methyl-N-phenylaniline;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;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-[2',7,7'-tri(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]carbazole.
What is the SMILES notation for N-[4-[(2,4-dimethylcyclopentyl)methoxy]phenyl]-3-methyl-N-phenylaniline;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;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-[2',7,7'-tri(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]carbazole?
The canonical SMILES for N-[4-[(2,4-dimethylcyclopentyl)methoxy]phenyl]-3-methyl-N-phenylaniline;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;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;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(c2ccccc2)c2ccc(OCC3CC(C)CC3C)cc2)c1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc4n5-c4ccccc4)ccc32)cc1.c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)C1(c3cc(-n4c5ccccc5c5ccccc54)ccc3-2)c2cc(-n3c4ccccc4c4ccccc43)ccc2-c2ccc(-n3c4ccccc4c4ccccc43)cc21.
What is the InChIKey of N-[4-[(2,4-dimethylcyclopentyl)methoxy]phenyl]-3-methyl-N-phenylaniline;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;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-[2',7,7'-tri(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]carbazole?
The InChIKey is JXIBOZVGLAUYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H44N4.C54H35N3.C36H23F9N2O4.C33H23F3N2O5.C27H16F6N2O4.C27H31NO.C24H16N2O5/c1-9-25-65-53(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;1-4-14-40(15-5-1)55-49-22-12-10-20-43(49)45-32-36(24-28-51(45)55)38-26-30-53-47(34-38)48-35-39(27-31-54(48)57(53)42-18-8-3-9-19-42)37-25-29-52-46(33-37)44-21-11-13-23-50(44)56(52)41-16-6-2-7-17-41;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;1-20-8-7-11-26(18-20)28(24-9-5-4-6-10-24)25-12-14-27(15-13-25)29-19-23-17-21(2)16-22(23)3;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/h1-44H;1-35H;4-17H,1-3H3;4-17H,1-3H3;3-12H,1-2H3;4-15,18,21-23H,16-17,19H2,1-3H3;3-12H,1-2H3.
What are the key properties of N-[4-[(2,4-dimethylcyclopentyl)methoxy]phenyl]-3-methyl-N-phenylaniline;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;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-[2',7,7'-tri(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]carbazole?
N-[4-[(2,4-dimethylcyclopentyl)methoxy]phenyl]-3-methyl-N-phenylaniline;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;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-[2',7,7'-tri(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]carbazole has a molecular weight of 4350.57 g/mol, XLogP of 61.94, 31 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,4-dimethylcyclopentyl)methoxy]phenyl]-3-methyl-N-phenylaniline;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;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-[2',7,7'-tri(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]carbazole is sourced from PubChem (CID 159051525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).