6-methyl-13-[4-(4-methylphenoxy)phenyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;2-methyl-5-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione;6-methyl-2-[4-(4-methylphenoxy)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;6-methyl-13-[4-[9-(4-methylphenyl)fluoren-9-yl]phenyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;6-methyl-2-[4-[9-(4-methylphenyl)fluoren-9-yl]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;6-methyl-13-[4-(4-methylphenyl)phenyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;2-methyl-5-[2-[4-(4-methylphenyl)phenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione;6-methyl-2-[4-(4-methylphenyl)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone

C242H158N16O37 — CID 159300495

IUPAC6-methyl-13-[4-(4-methylphenoxy)phenyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;2-methyl-5-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione;6-methyl-2-[4-(4-methylphenoxy)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;6-methyl-13-[4-[9-(4-methylphenyl)fluoren-9-yl]phenyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;6-methyl-2-[4-[9-(4-methylphenyl)fluoren-9-yl]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;6-methyl-13-[4-(4-methylphenyl)phenyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;2-methyl-5-[2-[4-(4-methylphenyl)phenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione;6-methyl-2-[4-(4-methylphenyl)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
SMILESCc1ccc(-c2ccc(-n3c(=O)c4cc5c(=O)n(C)c(=O)c5cc4c3=O)cc2)cc1.Cc1ccc(-c2ccc(N3C(=O)c4ccc(Oc5ccc6c(c5)C(=O)N(C)C6=O)cc4C3=O)cc2)cc1.Cc1ccc(-c2ccc(N3C(=O)c4ccc5c6c(ccc(c46)C3=O)C(=O)N(C)C5=O)cc2)cc1.Cc1ccc(C2(c3ccc(-n4c(=O)c5cc6c(=O)n(C)c(=O)c6cc5c4=O)cc3)c3ccccc3-c3ccccc32)cc1.Cc1ccc(C2(c3ccc(N4C(=O)c5ccc6c7c(ccc(c57)C4=O)C(=O)N(C)C6=O)cc3)c3ccccc3-c3ccccc32)cc1.Cc1ccc(Oc2ccc(-n3c(=O)c4cc5c(=O)n(C)c(=O)c5cc4c3=O)cc2)cc1.Cc1ccc(Oc2ccc(N3C(=O)c4ccc(Oc5ccc6c(c5)C(=O)N(C)C6=O)cc4C3=O)cc2)cc1.Cc1ccc(Oc2ccc(N3C(=O)c4ccc5c6c(ccc(c46)C3=O)C(=O)N(C)C5=O)cc2)cc1
InChIInChI=1S/C41H26N2O4.C37H24N2O4.C30H20N2O6.C30H20N2O5.C28H18N2O5.C28H18N2O4.C24H16N2O5.C24H16N2O4/c1-23-11-13-24(14-12-23)41(33-9-5-3-7-27(33)28-8-4-6-10-34(28)41)25-15-17-26(18-16-25)43-39(46)31-21-19-29-35-30(38(45)42(2)37(29)44)20-22-32(36(31)35)40(43)47;1-21-11-13-22(14-12-21)37(31-9-5-3-7-25(31)26-8-4-6-10-32(26)37)23-15-17-24(18-16-23)39-35(42)29-19-27-28(20-30(29)36(39)43)34(41)38(2)33(27)40;1-17-3-7-19(8-4-17)37-20-9-5-18(6-10-20)32-29(35)24-14-12-22(16-26(24)30(32)36)38-21-11-13-23-25(15-21)28(34)31(2)27(23)33;1-17-3-5-18(6-4-17)19-7-9-20(10-8-19)32-29(35)24-14-12-22(16-26(24)30(32)36)37-21-11-13-23-25(15-21)28(34)31(2)27(23)33;1-15-3-7-17(8-4-15)35-18-9-5-16(6-10-18)30-27(33)21-13-11-19-23-20(26(32)29(2)25(19)31)12-14-22(24(21)23)28(30)34;1-15-3-5-16(6-4-15)17-7-9-18(10-8-17)30-27(33)21-13-11-19-23-20(26(32)29(2)25(19)31)12-14-22(24(21)23)28(30)34;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;1-13-3-5-14(6-4-13)15-7-9-16(10-8-15)26-23(29)19-11-17-18(12-20(19)24(26)30)22(28)25(2)21(17)27/h3-22H,1-2H3;3-20H,1-2H3;3-16H,1-2H3;3-16H,1-2H3;3-14H,1-2H3;3-14H,1-2H3;3-12H,1-2H3;3-12H,1-2H3
InChIKeyLBGPTYHHUJSMNT-UHFFFAOYSA-N
MW3882.00 g/mol
LogP38.50
Rot. Bonds25

About 6-methyl-13-[4-(4-methylphenoxy)phenyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;2-methyl-5-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione;6-methyl-2-[4-(4-methylphenoxy)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;6-methyl-13-[4-[9-(4-methylphenyl)fluoren-9-yl]phenyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;6-methyl-2-[4-[9-(4-methylphenyl)fluoren-9-yl]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;6-methyl-13-[4-(4-methylphenyl)phenyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;2-methyl-5-[2-[4-(4-methylphenyl)phenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione;6-methyl-2-[4-(4-methylphenyl)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone

6-methyl-13-[4-(4-methylphenoxy)phenyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;2-methyl-5-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione;6-methyl-2-[4-(4-methylphenoxy)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;6-methyl-13-[4-[9-(4-methylphenyl)fluoren-9-yl]phenyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;6-methyl-2-[4-[9-(4-methylphenyl)fluoren-9-yl]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;6-methyl-13-[4-(4-methylphenyl)phenyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;2-methyl-5-[2-[4-(4-methylphenyl)phenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione;6-methyl-2-[4-(4-methylphenyl)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone (PubChem CID 159300495) has the molecular formula C242H158N16O37 and a molecular weight of 3882.00 g/mol. Its IUPAC name is 6-methyl-13-[4-(4-methylphenoxy)phenyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;2-methyl-5-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione;6-methyl-2-[4-(4-methylphenoxy)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;6-methyl-13-[4-[9-(4-methylphenyl)fluoren-9-yl]phenyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;6-methyl-2-[4-[9-(4-methylphenyl)fluoren-9-yl]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;6-methyl-13-[4-(4-methylphenyl)phenyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;2-methyl-5-[2-[4-(4-methylphenyl)phenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione;6-methyl-2-[4-(4-methylphenyl)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone.

Molecular Properties

Compound Name6-methyl-13-[4-(4-methylphenoxy)phenyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;2-methyl-5-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione;6-methyl-2-[4-(4-methylphenoxy)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;6-methyl-13-[4-[9-(4-methylphenyl)fluoren-9-yl]phenyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;6-methyl-2-[4-[9-(4-methylphenyl)fluoren-9-yl]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;6-methyl-13-[4-(4-methylphenyl)phenyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;2-methyl-5-[2-[4-(4-methylphenyl)phenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione;6-methyl-2-[4-(4-methylphenyl)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
PubChem CID159300495
Molecular FormulaC242H158N16O37
Molecular Weight3882.00 g/mol
Exact Mass3879.10
IUPAC Name6-methyl-13-[4-(4-methylphenoxy)phenyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;2-methyl-5-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione;6-methyl-2-[4-(4-methylphenoxy)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;6-methyl-13-[4-[9-(4-methylphenyl)fluoren-9-yl]phenyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;6-methyl-2-[4-[9-(4-methylphenyl)fluoren-9-yl]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;6-methyl-13-[4-(4-methylphenyl)phenyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;2-methyl-5-[2-[4-(4-methylphenyl)phenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione;6-methyl-2-[4-(4-methylphenyl)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
SMILESCc1ccc(-c2ccc(-n3c(=O)c4cc5c(=O)n(C)c(=O)c5cc4c3=O)cc2)cc1.Cc1ccc(-c2ccc(N3C(=O)c4ccc(Oc5ccc6c(c5)C(=O)N(C)C6=O)cc4C3=O)cc2)cc1.Cc1ccc(-c2ccc(N3C(=O)c4ccc5c6c(ccc(c46)C3=O)C(=O)N(C)C5=O)cc2)cc1.Cc1ccc(C2(c3ccc(-n4c(=O)c5cc6c(=O)n(C)c(=O)c6cc5c4=O)cc3)c3ccccc3-c3ccccc32)cc1.Cc1ccc(C2(c3ccc(N4C(=O)c5ccc6c7c(ccc(c57)C4=O)C(=O)N(C)C6=O)cc3)c3ccccc3-c3ccccc32)cc1.Cc1ccc(Oc2ccc(-n3c(=O)c4cc5c(=O)n(C)c(=O)c5cc4c3=O)cc2)cc1.Cc1ccc(Oc2ccc(N3C(=O)c4ccc(Oc5ccc6c(c5)C(=O)N(C)C6=O)cc4C3=O)cc2)cc1.Cc1ccc(Oc2ccc(N3C(=O)c4ccc5c6c(ccc(c46)C3=O)C(=O)N(C)C5=O)cc2)cc1
InChIInChI=1S/C41H26N2O4.C37H24N2O4.C30H20N2O6.C30H20N2O5.C28H18N2O5.C28H18N2O4.C24H16N2O5.C24H16N2O4/c1-23-11-13-24(14-12-23)41(33-9-5-3-7-27(33)28-8-4-6-10-34(28)41)25-15-17-26(18-16-25)43-39(46)31-21-19-29-35-30(38(45)42(2)37(29)44)20-22-32(36(31)35)40(43)47;1-21-11-13-22(14-12-21)37(31-9-5-3-7-25(31)26-8-4-6-10-32(26)37)23-15-17-24(18-16-23)39-35(42)29-19-27-28(20-30(29)36(39)43)34(41)38(2)33(27)40;1-17-3-7-19(8-4-17)37-20-9-5-18(6-10-20)32-29(35)24-14-12-22(16-26(24)30(32)36)38-21-11-13-23-25(15-21)28(34)31(2)27(23)33;1-17-3-5-18(6-4-17)19-7-9-20(10-8-19)32-29(35)24-14-12-22(16-26(24)30(32)36)37-21-11-13-23-25(15-21)28(34)31(2)27(23)33;1-15-3-7-17(8-4-15)35-18-9-5-16(6-10-18)30-27(33)21-13-11-19-23-20(26(32)29(2)25(19)31)12-14-22(24(21)23)28(30)34;1-15-3-5-16(6-4-15)17-7-9-18(10-8-17)30-27(33)21-13-11-19-23-20(26(32)29(2)25(19)31)12-14-22(24(21)23)28(30)34;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;1-13-3-5-14(6-4-13)15-7-9-16(10-8-15)26-23(29)19-11-17-18(12-20(19)24(26)30)22(28)25(2)21(17)27/h3-22H,1-2H3;3-20H,1-2H3;3-16H,1-2H3;3-16H,1-2H3;3-14H,1-2H3;3-14H,1-2H3;3-12H,1-2H3;3-12H,1-2H3
InChIKeyLBGPTYHHUJSMNT-UHFFFAOYSA-N
XLogP38.50
TPSA654.37 Ų
H-Bond Donors
H-Bond Acceptors43
Rotatable Bonds25
Heavy Atoms295
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003882.00
LogP ≤ 538.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1043

Analyze 6-methyl-13-[4-(4-methylphenoxy)phenyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;2-methyl-5-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione;6-methyl-2-[4-(4-methylphenoxy)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;6-methyl-13-[4-[9-(4-methylphenyl)fluoren-9-yl]phenyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;6-methyl-2-[4-[9-(4-methylphenyl)fluoren-9-yl]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;6-methyl-13-[4-(4-methylphenyl)phenyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;2-methyl-5-[2-[4-(4-methylphenyl)phenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione;6-methyl-2-[4-(4-methylphenyl)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-13-[4-(4-methylphenoxy)phenyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;2-methyl-5-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione;6-methyl-2-[4-(4-methylphenoxy)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;6-methyl-13-[4-[9-(4-methylphenyl)fluoren-9-yl]phenyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;6-methyl-2-[4-[9-(4-methylphenyl)fluoren-9-yl]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;6-methyl-13-[4-(4-methylphenyl)phenyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;2-methyl-5-[2-[4-(4-methylphenyl)phenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione;6-methyl-2-[4-(4-methylphenyl)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The IUPAC name of 6-methyl-13-[4-(4-methylphenoxy)phenyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;2-methyl-5-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione;6-methyl-2-[4-(4-methylphenoxy)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;6-methyl-13-[4-[9-(4-methylphenyl)fluoren-9-yl]phenyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;6-methyl-2-[4-[9-(4-methylphenyl)fluoren-9-yl]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;6-methyl-13-[4-(4-methylphenyl)phenyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;2-methyl-5-[2-[4-(4-methylphenyl)phenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione;6-methyl-2-[4-(4-methylphenyl)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone (CID 159300495) is 6-methyl-13-[4-(4-methylphenoxy)phenyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;2-methyl-5-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione;6-methyl-2-[4-(4-methylphenoxy)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;6-methyl-13-[4-[9-(4-methylphenyl)fluoren-9-yl]phenyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;6-methyl-2-[4-[9-(4-methylphenyl)fluoren-9-yl]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;6-methyl-13-[4-(4-methylphenyl)phenyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;2-methyl-5-[2-[4-(4-methylphenyl)phenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione;6-methyl-2-[4-(4-methylphenyl)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone.
What is the SMILES notation for 6-methyl-13-[4-(4-methylphenoxy)phenyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;2-methyl-5-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione;6-methyl-2-[4-(4-methylphenoxy)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;6-methyl-13-[4-[9-(4-methylphenyl)fluoren-9-yl]phenyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;6-methyl-2-[4-[9-(4-methylphenyl)fluoren-9-yl]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;6-methyl-13-[4-(4-methylphenyl)phenyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;2-methyl-5-[2-[4-(4-methylphenyl)phenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione;6-methyl-2-[4-(4-methylphenyl)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The canonical SMILES for 6-methyl-13-[4-(4-methylphenoxy)phenyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;2-methyl-5-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione;6-methyl-2-[4-(4-methylphenoxy)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;6-methyl-13-[4-[9-(4-methylphenyl)fluoren-9-yl]phenyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;6-methyl-2-[4-[9-(4-methylphenyl)fluoren-9-yl]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;6-methyl-13-[4-(4-methylphenyl)phenyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;2-methyl-5-[2-[4-(4-methylphenyl)phenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione;6-methyl-2-[4-(4-methylphenyl)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone is Cc1ccc(-c2ccc(-n3c(=O)c4cc5c(=O)n(C)c(=O)c5cc4c3=O)cc2)cc1.Cc1ccc(-c2ccc(N3C(=O)c4ccc(Oc5ccc6c(c5)C(=O)N(C)C6=O)cc4C3=O)cc2)cc1.Cc1ccc(-c2ccc(N3C(=O)c4ccc5c6c(ccc(c46)C3=O)C(=O)N(C)C5=O)cc2)cc1.Cc1ccc(C2(c3ccc(-n4c(=O)c5cc6c(=O)n(C)c(=O)c6cc5c4=O)cc3)c3ccccc3-c3ccccc32)cc1.Cc1ccc(C2(c3ccc(N4C(=O)c5ccc6c7c(ccc(c57)C4=O)C(=O)N(C)C6=O)cc3)c3ccccc3-c3ccccc32)cc1.Cc1ccc(Oc2ccc(-n3c(=O)c4cc5c(=O)n(C)c(=O)c5cc4c3=O)cc2)cc1.Cc1ccc(Oc2ccc(N3C(=O)c4ccc(Oc5ccc6c(c5)C(=O)N(C)C6=O)cc4C3=O)cc2)cc1.Cc1ccc(Oc2ccc(N3C(=O)c4ccc5c6c(ccc(c46)C3=O)C(=O)N(C)C5=O)cc2)cc1.
What is the InChIKey of 6-methyl-13-[4-(4-methylphenoxy)phenyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;2-methyl-5-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione;6-methyl-2-[4-(4-methylphenoxy)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;6-methyl-13-[4-[9-(4-methylphenyl)fluoren-9-yl]phenyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;6-methyl-2-[4-[9-(4-methylphenyl)fluoren-9-yl]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;6-methyl-13-[4-(4-methylphenyl)phenyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;2-methyl-5-[2-[4-(4-methylphenyl)phenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione;6-methyl-2-[4-(4-methylphenyl)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The InChIKey is LBGPTYHHUJSMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H26N2O4.C37H24N2O4.C30H20N2O6.C30H20N2O5.C28H18N2O5.C28H18N2O4.C24H16N2O5.C24H16N2O4/c1-23-11-13-24(14-12-23)41(33-9-5-3-7-27(33)28-8-4-6-10-34(28)41)25-15-17-26(18-16-25)43-39(46)31-21-19-29-35-30(38(45)42(2)37(29)44)20-22-32(36(31)35)40(43)47;1-21-11-13-22(14-12-21)37(31-9-5-3-7-25(31)26-8-4-6-10-32(26)37)23-15-17-24(18-16-23)39-35(42)29-19-27-28(20-30(29)36(39)43)34(41)38(2)33(27)40;1-17-3-7-19(8-4-17)37-20-9-5-18(6-10-20)32-29(35)24-14-12-22(16-26(24)30(32)36)38-21-11-13-23-25(15-21)28(34)31(2)27(23)33;1-17-3-5-18(6-4-17)19-7-9-20(10-8-19)32-29(35)24-14-12-22(16-26(24)30(32)36)37-21-11-13-23-25(15-21)28(34)31(2)27(23)33;1-15-3-7-17(8-4-15)35-18-9-5-16(6-10-18)30-27(33)21-13-11-19-23-20(26(32)29(2)25(19)31)12-14-22(24(21)23)28(30)34;1-15-3-5-16(6-4-15)17-7-9-18(10-8-17)30-27(33)21-13-11-19-23-20(26(32)29(2)25(19)31)12-14-22(24(21)23)28(30)34;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;1-13-3-5-14(6-4-13)15-7-9-16(10-8-15)26-23(29)19-11-17-18(12-20(19)24(26)30)22(28)25(2)21(17)27/h3-22H,1-2H3;3-20H,1-2H3;3-16H,1-2H3;3-16H,1-2H3;3-14H,1-2H3;3-14H,1-2H3;3-12H,1-2H3;3-12H,1-2H3.
What are the key properties of 6-methyl-13-[4-(4-methylphenoxy)phenyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;2-methyl-5-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione;6-methyl-2-[4-(4-methylphenoxy)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;6-methyl-13-[4-[9-(4-methylphenyl)fluoren-9-yl]phenyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;6-methyl-2-[4-[9-(4-methylphenyl)fluoren-9-yl]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;6-methyl-13-[4-(4-methylphenyl)phenyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;2-methyl-5-[2-[4-(4-methylphenyl)phenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione;6-methyl-2-[4-(4-methylphenyl)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
6-methyl-13-[4-(4-methylphenoxy)phenyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;2-methyl-5-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione;6-methyl-2-[4-(4-methylphenoxy)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;6-methyl-13-[4-[9-(4-methylphenyl)fluoren-9-yl]phenyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;6-methyl-2-[4-[9-(4-methylphenyl)fluoren-9-yl]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;6-methyl-13-[4-(4-methylphenyl)phenyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;2-methyl-5-[2-[4-(4-methylphenyl)phenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione;6-methyl-2-[4-(4-methylphenyl)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone has a molecular weight of 3882.00 g/mol, XLogP of 38.50, 25 rotatable bonds, 0 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-13-[4-(4-methylphenoxy)phenyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;2-methyl-5-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione;6-methyl-2-[4-(4-methylphenoxy)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;6-methyl-13-[4-[9-(4-methylphenyl)fluoren-9-yl]phenyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;6-methyl-2-[4-[9-(4-methylphenyl)fluoren-9-yl]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;6-methyl-13-[4-(4-methylphenyl)phenyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;2-methyl-5-[2-[4-(4-methylphenyl)phenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione;6-methyl-2-[4-(4-methylphenyl)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone is sourced from PubChem (CID 159300495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).