6-(3,4-dimethylphenyl)-13-(4-methoxy-3-methylphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;5-[2-(4-methoxy-3-methylphenyl)-1,3-dioxoisoindol-5-yl]oxy-2-(4-methylphenyl)isoindole-1,3-dione;6-(4-methoxy-3-methylphenyl)-13-(4-methylphenyl)-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-[3-[4-(4-methoxy-3-methylphenyl)sulfonyl-2-methylphenoxy]phenyl]-13-(3-methylphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;4-methoxy-1-[4-(4-methylphenyl)sulfonylphenoxy]-2-(1,1,2,2,3,3,4,4-octafluoropentoxy)benzene;1-[4-(4-methoxyphenoxy)phenyl]sulfonyl-4-methylbenzene;5-[2-(4-methoxyphenyl)-1,3-dioxoisoindol-5-yl]oxy-2-(4-methylphenyl)isoindole-1,3-dione;6-(4-methoxyphenyl)-13-(4-methylphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone

C235H170F8N12O44S3 — CID 159315696

IUPAC6-(3,4-dimethylphenyl)-13-(4-methoxy-3-methylphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;5-[2-(4-methoxy-3-methylphenyl)-1,3-dioxoisoindol-5-yl]oxy-2-(4-methylphenyl)isoindole-1,3-dione;6-(4-methoxy-3-methylphenyl)-13-(4-methylphenyl)-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-[3-[4-(4-methoxy-3-methylphenyl)sulfonyl-2-methylphenoxy]phenyl]-13-(3-methylphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;4-methoxy-1-[4-(4-methylphenyl)sulfonylphenoxy]-2-(1,1,2,2,3,3,4,4-octafluoropentoxy)benzene;1-[4-(4-methoxyphenoxy)phenyl]sulfonyl-4-methylbenzene;5-[2-(4-methoxyphenyl)-1,3-dioxoisoindol-5-yl]oxy-2-(4-methylphenyl)isoindole-1,3-dione;6-(4-methoxyphenyl)-13-(4-methylphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
SMILESCOc1ccc(N2C(=O)c3ccc(Oc4ccc5c(c4)C(=O)N(c4ccc(C)cc4)C5=O)cc3C2=O)cc1.COc1ccc(N2C(=O)c3ccc(Oc4ccc5c(c4)C(=O)N(c4ccc(C)cc4)C5=O)cc3C2=O)cc1C.COc1ccc(N2C(=O)c3ccc4c5c(ccc(c35)C2=O)C(=O)N(c2ccc(C)c(C)c2)C4=O)cc1C.COc1ccc(N2C(=O)c3ccc4c5c(ccc(c35)C2=O)C(=O)N(c2ccc(C)cc2)C4=O)cc1.COc1ccc(N2C(=O)c3ccc4c5c(ccc(c35)C2=O)C(=O)N(c2ccc(C)cc2)C4=O)cc1C.COc1ccc(Oc2ccc(S(=O)(=O)c3ccc(C)cc3)cc2)c(OC(F)(F)C(F)(F)C(F)(F)C(C)(F)F)c1.COc1ccc(Oc2ccc(S(=O)(=O)c3ccc(C)cc3)cc2)cc1.COc1ccc(S(=O)(=O)c2ccc(Oc3cccc(N4C(=O)c5ccc6c7c(ccc(c57)C4=O)C(=O)N(c4cccc(C)c4)C6=O)c3)c(C)c2)cc1C
InChIInChI=1S/C42H30N2O8S.C31H22N2O6.C30H20N2O6.C30H22N2O5.C29H20N2O5.C28H18N2O5.C25H20F8O5S.C20H18O4S/c1-23-7-5-8-26(19-23)43-39(45)31-13-15-33-38-34(16-14-32(37(31)38)40(43)46)42(48)44(41(33)47)27-9-6-10-28(22-27)52-36-18-12-30(21-25(36)3)53(49,50)29-11-17-35(51-4)24(2)20-29;1-17-4-6-19(7-5-17)32-28(34)23-11-9-21(15-25(23)30(32)36)39-22-10-12-24-26(16-22)31(37)33(29(24)35)20-8-13-27(38-3)18(2)14-20;1-17-3-5-18(6-4-17)31-27(33)23-13-11-21(15-25(23)29(31)35)38-22-12-14-24-26(16-22)30(36)32(28(24)34)19-7-9-20(37-2)10-8-19;1-15-5-6-18(13-16(15)2)31-27(33)20-8-10-22-26-23(11-9-21(25(20)26)28(31)34)30(36)32(29(22)35)19-7-12-24(37-4)17(3)14-19;1-15-4-6-17(7-5-15)30-26(32)19-9-11-21-25-22(12-10-20(24(19)25)27(30)33)29(35)31(28(21)34)18-8-13-23(36-3)16(2)14-18;1-15-3-5-16(6-4-15)29-25(31)19-11-13-21-24-22(14-12-20(23(19)24)26(29)32)28(34)30(27(21)33)17-7-9-18(35-2)10-8-17;1-15-4-9-18(10-5-15)39(34,35)19-11-6-16(7-12-19)37-20-13-8-17(36-3)14-21(20)38-25(32,33)24(30,31)23(28,29)22(2,26)27;1-15-3-11-19(12-4-15)25(21,22)20-13-9-18(10-14-20)24-17-7-5-16(23-2)6-8-17/h5-22H,1-4H3;4-16H,1-3H3;3-16H,1-2H3;5-14H,1-4H3;4-14H,1-3H3;3-14H,1-2H3;4-14H,1-3H3;3-14H,1-2H3
InChIKeyLDCLGMBMDJMBHE-UHFFFAOYSA-N
MW4114.17 g/mol
LogP46.46
Rot. Bonds41

About 6-(3,4-dimethylphenyl)-13-(4-methoxy-3-methylphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;5-[2-(4-methoxy-3-methylphenyl)-1,3-dioxoisoindol-5-yl]oxy-2-(4-methylphenyl)isoindole-1,3-dione;6-(4-methoxy-3-methylphenyl)-13-(4-methylphenyl)-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-[3-[4-(4-methoxy-3-methylphenyl)sulfonyl-2-methylphenoxy]phenyl]-13-(3-methylphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;4-methoxy-1-[4-(4-methylphenyl)sulfonylphenoxy]-2-(1,1,2,2,3,3,4,4-octafluoropentoxy)benzene;1-[4-(4-methoxyphenoxy)phenyl]sulfonyl-4-methylbenzene;5-[2-(4-methoxyphenyl)-1,3-dioxoisoindol-5-yl]oxy-2-(4-methylphenyl)isoindole-1,3-dione;6-(4-methoxyphenyl)-13-(4-methylphenyl)-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-(3,4-dimethylphenyl)-13-(4-methoxy-3-methylphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;5-[2-(4-methoxy-3-methylphenyl)-1,3-dioxoisoindol-5-yl]oxy-2-(4-methylphenyl)isoindole-1,3-dione;6-(4-methoxy-3-methylphenyl)-13-(4-methylphenyl)-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-[3-[4-(4-methoxy-3-methylphenyl)sulfonyl-2-methylphenoxy]phenyl]-13-(3-methylphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;4-methoxy-1-[4-(4-methylphenyl)sulfonylphenoxy]-2-(1,1,2,2,3,3,4,4-octafluoropentoxy)benzene;1-[4-(4-methoxyphenoxy)phenyl]sulfonyl-4-methylbenzene;5-[2-(4-methoxyphenyl)-1,3-dioxoisoindol-5-yl]oxy-2-(4-methylphenyl)isoindole-1,3-dione;6-(4-methoxyphenyl)-13-(4-methylphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone (PubChem CID 159315696) has the molecular formula C235H170F8N12O44S3 and a molecular weight of 4114.17 g/mol. Its IUPAC name is 6-(3,4-dimethylphenyl)-13-(4-methoxy-3-methylphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;5-[2-(4-methoxy-3-methylphenyl)-1,3-dioxoisoindol-5-yl]oxy-2-(4-methylphenyl)isoindole-1,3-dione;6-(4-methoxy-3-methylphenyl)-13-(4-methylphenyl)-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-[3-[4-(4-methoxy-3-methylphenyl)sulfonyl-2-methylphenoxy]phenyl]-13-(3-methylphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;4-methoxy-1-[4-(4-methylphenyl)sulfonylphenoxy]-2-(1,1,2,2,3,3,4,4-octafluoropentoxy)benzene;1-[4-(4-methoxyphenoxy)phenyl]sulfonyl-4-methylbenzene;5-[2-(4-methoxyphenyl)-1,3-dioxoisoindol-5-yl]oxy-2-(4-methylphenyl)isoindole-1,3-dione;6-(4-methoxyphenyl)-13-(4-methylphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone.

Molecular Properties

Compound Name6-(3,4-dimethylphenyl)-13-(4-methoxy-3-methylphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;5-[2-(4-methoxy-3-methylphenyl)-1,3-dioxoisoindol-5-yl]oxy-2-(4-methylphenyl)isoindole-1,3-dione;6-(4-methoxy-3-methylphenyl)-13-(4-methylphenyl)-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-[3-[4-(4-methoxy-3-methylphenyl)sulfonyl-2-methylphenoxy]phenyl]-13-(3-methylphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;4-methoxy-1-[4-(4-methylphenyl)sulfonylphenoxy]-2-(1,1,2,2,3,3,4,4-octafluoropentoxy)benzene;1-[4-(4-methoxyphenoxy)phenyl]sulfonyl-4-methylbenzene;5-[2-(4-methoxyphenyl)-1,3-dioxoisoindol-5-yl]oxy-2-(4-methylphenyl)isoindole-1,3-dione;6-(4-methoxyphenyl)-13-(4-methylphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
PubChem CID159315696
Molecular FormulaC235H170F8N12O44S3
Molecular Weight4114.17 g/mol
Exact Mass4111.05
IUPAC Name6-(3,4-dimethylphenyl)-13-(4-methoxy-3-methylphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;5-[2-(4-methoxy-3-methylphenyl)-1,3-dioxoisoindol-5-yl]oxy-2-(4-methylphenyl)isoindole-1,3-dione;6-(4-methoxy-3-methylphenyl)-13-(4-methylphenyl)-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-[3-[4-(4-methoxy-3-methylphenyl)sulfonyl-2-methylphenoxy]phenyl]-13-(3-methylphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;4-methoxy-1-[4-(4-methylphenyl)sulfonylphenoxy]-2-(1,1,2,2,3,3,4,4-octafluoropentoxy)benzene;1-[4-(4-methoxyphenoxy)phenyl]sulfonyl-4-methylbenzene;5-[2-(4-methoxyphenyl)-1,3-dioxoisoindol-5-yl]oxy-2-(4-methylphenyl)isoindole-1,3-dione;6-(4-methoxyphenyl)-13-(4-methylphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
SMILESCOc1ccc(N2C(=O)c3ccc(Oc4ccc5c(c4)C(=O)N(c4ccc(C)cc4)C5=O)cc3C2=O)cc1.COc1ccc(N2C(=O)c3ccc(Oc4ccc5c(c4)C(=O)N(c4ccc(C)cc4)C5=O)cc3C2=O)cc1C.COc1ccc(N2C(=O)c3ccc4c5c(ccc(c35)C2=O)C(=O)N(c2ccc(C)c(C)c2)C4=O)cc1C.COc1ccc(N2C(=O)c3ccc4c5c(ccc(c35)C2=O)C(=O)N(c2ccc(C)cc2)C4=O)cc1.COc1ccc(N2C(=O)c3ccc4c5c(ccc(c35)C2=O)C(=O)N(c2ccc(C)cc2)C4=O)cc1C.COc1ccc(Oc2ccc(S(=O)(=O)c3ccc(C)cc3)cc2)c(OC(F)(F)C(F)(F)C(F)(F)C(C)(F)F)c1.COc1ccc(Oc2ccc(S(=O)(=O)c3ccc(C)cc3)cc2)cc1.COc1ccc(S(=O)(=O)c2ccc(Oc3cccc(N4C(=O)c5ccc6c7c(ccc(c57)C4=O)C(=O)N(c4cccc(C)c4)C6=O)c3)c(C)c2)cc1C
InChIInChI=1S/C42H30N2O8S.C31H22N2O6.C30H20N2O6.C30H22N2O5.C29H20N2O5.C28H18N2O5.C25H20F8O5S.C20H18O4S/c1-23-7-5-8-26(19-23)43-39(45)31-13-15-33-38-34(16-14-32(37(31)38)40(43)46)42(48)44(41(33)47)27-9-6-10-28(22-27)52-36-18-12-30(21-25(36)3)53(49,50)29-11-17-35(51-4)24(2)20-29;1-17-4-6-19(7-5-17)32-28(34)23-11-9-21(15-25(23)30(32)36)39-22-10-12-24-26(16-22)31(37)33(29(24)35)20-8-13-27(38-3)18(2)14-20;1-17-3-5-18(6-4-17)31-27(33)23-13-11-21(15-25(23)29(31)35)38-22-12-14-24-26(16-22)30(36)32(28(24)34)19-7-9-20(37-2)10-8-19;1-15-5-6-18(13-16(15)2)31-27(33)20-8-10-22-26-23(11-9-21(25(20)26)28(31)34)30(36)32(29(22)35)19-7-12-24(37-4)17(3)14-19;1-15-4-6-17(7-5-15)30-26(32)19-9-11-21-25-22(12-10-20(24(19)25)27(30)33)29(35)31(28(21)34)18-8-13-23(36-3)16(2)14-18;1-15-3-5-16(6-4-15)29-25(31)19-11-13-21-24-22(14-12-20(23(19)24)26(29)32)28(34)30(27(21)33)17-7-9-18(35-2)10-8-17;1-15-4-9-18(10-5-15)39(34,35)19-11-6-16(7-12-19)37-20-13-8-17(36-3)14-21(20)38-25(32,33)24(30,31)23(28,29)22(2,26)27;1-15-3-11-19(12-4-15)25(21,22)20-13-9-18(10-14-20)24-17-7-5-16(23-2)6-8-17/h5-22H,1-4H3;4-16H,1-3H3;3-16H,1-2H3;5-14H,1-4H3;4-14H,1-3H3;3-14H,1-2H3;4-14H,1-3H3;3-14H,1-2H3
InChIKeyLDCLGMBMDJMBHE-UHFFFAOYSA-N
XLogP46.46
TPSA680.20 Ų
H-Bond Donors
H-Bond Acceptors44
Rotatable Bonds41
Heavy Atoms302
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004114.17
LogP ≤ 546.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1044

Analyze 6-(3,4-dimethylphenyl)-13-(4-methoxy-3-methylphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;5-[2-(4-methoxy-3-methylphenyl)-1,3-dioxoisoindol-5-yl]oxy-2-(4-methylphenyl)isoindole-1,3-dione;6-(4-methoxy-3-methylphenyl)-13-(4-methylphenyl)-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-[3-[4-(4-methoxy-3-methylphenyl)sulfonyl-2-methylphenoxy]phenyl]-13-(3-methylphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;4-methoxy-1-[4-(4-methylphenyl)sulfonylphenoxy]-2-(1,1,2,2,3,3,4,4-octafluoropentoxy)benzene;1-[4-(4-methoxyphenoxy)phenyl]sulfonyl-4-methylbenzene;5-[2-(4-methoxyphenyl)-1,3-dioxoisoindol-5-yl]oxy-2-(4-methylphenyl)isoindole-1,3-dione;6-(4-methoxyphenyl)-13-(4-methylphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethylphenyl)-13-(4-methoxy-3-methylphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;5-[2-(4-methoxy-3-methylphenyl)-1,3-dioxoisoindol-5-yl]oxy-2-(4-methylphenyl)isoindole-1,3-dione;6-(4-methoxy-3-methylphenyl)-13-(4-methylphenyl)-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-[3-[4-(4-methoxy-3-methylphenyl)sulfonyl-2-methylphenoxy]phenyl]-13-(3-methylphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;4-methoxy-1-[4-(4-methylphenyl)sulfonylphenoxy]-2-(1,1,2,2,3,3,4,4-octafluoropentoxy)benzene;1-[4-(4-methoxyphenoxy)phenyl]sulfonyl-4-methylbenzene;5-[2-(4-methoxyphenyl)-1,3-dioxoisoindol-5-yl]oxy-2-(4-methylphenyl)isoindole-1,3-dione;6-(4-methoxyphenyl)-13-(4-methylphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone?
The IUPAC name of 6-(3,4-dimethylphenyl)-13-(4-methoxy-3-methylphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;5-[2-(4-methoxy-3-methylphenyl)-1,3-dioxoisoindol-5-yl]oxy-2-(4-methylphenyl)isoindole-1,3-dione;6-(4-methoxy-3-methylphenyl)-13-(4-methylphenyl)-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-[3-[4-(4-methoxy-3-methylphenyl)sulfonyl-2-methylphenoxy]phenyl]-13-(3-methylphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;4-methoxy-1-[4-(4-methylphenyl)sulfonylphenoxy]-2-(1,1,2,2,3,3,4,4-octafluoropentoxy)benzene;1-[4-(4-methoxyphenoxy)phenyl]sulfonyl-4-methylbenzene;5-[2-(4-methoxyphenyl)-1,3-dioxoisoindol-5-yl]oxy-2-(4-methylphenyl)isoindole-1,3-dione;6-(4-methoxyphenyl)-13-(4-methylphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone (CID 159315696) is 6-(3,4-dimethylphenyl)-13-(4-methoxy-3-methylphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;5-[2-(4-methoxy-3-methylphenyl)-1,3-dioxoisoindol-5-yl]oxy-2-(4-methylphenyl)isoindole-1,3-dione;6-(4-methoxy-3-methylphenyl)-13-(4-methylphenyl)-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-[3-[4-(4-methoxy-3-methylphenyl)sulfonyl-2-methylphenoxy]phenyl]-13-(3-methylphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;4-methoxy-1-[4-(4-methylphenyl)sulfonylphenoxy]-2-(1,1,2,2,3,3,4,4-octafluoropentoxy)benzene;1-[4-(4-methoxyphenoxy)phenyl]sulfonyl-4-methylbenzene;5-[2-(4-methoxyphenyl)-1,3-dioxoisoindol-5-yl]oxy-2-(4-methylphenyl)isoindole-1,3-dione;6-(4-methoxyphenyl)-13-(4-methylphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone.
What is the SMILES notation for 6-(3,4-dimethylphenyl)-13-(4-methoxy-3-methylphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;5-[2-(4-methoxy-3-methylphenyl)-1,3-dioxoisoindol-5-yl]oxy-2-(4-methylphenyl)isoindole-1,3-dione;6-(4-methoxy-3-methylphenyl)-13-(4-methylphenyl)-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-[3-[4-(4-methoxy-3-methylphenyl)sulfonyl-2-methylphenoxy]phenyl]-13-(3-methylphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;4-methoxy-1-[4-(4-methylphenyl)sulfonylphenoxy]-2-(1,1,2,2,3,3,4,4-octafluoropentoxy)benzene;1-[4-(4-methoxyphenoxy)phenyl]sulfonyl-4-methylbenzene;5-[2-(4-methoxyphenyl)-1,3-dioxoisoindol-5-yl]oxy-2-(4-methylphenyl)isoindole-1,3-dione;6-(4-methoxyphenyl)-13-(4-methylphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone?
The canonical SMILES for 6-(3,4-dimethylphenyl)-13-(4-methoxy-3-methylphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;5-[2-(4-methoxy-3-methylphenyl)-1,3-dioxoisoindol-5-yl]oxy-2-(4-methylphenyl)isoindole-1,3-dione;6-(4-methoxy-3-methylphenyl)-13-(4-methylphenyl)-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-[3-[4-(4-methoxy-3-methylphenyl)sulfonyl-2-methylphenoxy]phenyl]-13-(3-methylphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;4-methoxy-1-[4-(4-methylphenyl)sulfonylphenoxy]-2-(1,1,2,2,3,3,4,4-octafluoropentoxy)benzene;1-[4-(4-methoxyphenoxy)phenyl]sulfonyl-4-methylbenzene;5-[2-(4-methoxyphenyl)-1,3-dioxoisoindol-5-yl]oxy-2-(4-methylphenyl)isoindole-1,3-dione;6-(4-methoxyphenyl)-13-(4-methylphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone is COc1ccc(N2C(=O)c3ccc(Oc4ccc5c(c4)C(=O)N(c4ccc(C)cc4)C5=O)cc3C2=O)cc1.COc1ccc(N2C(=O)c3ccc(Oc4ccc5c(c4)C(=O)N(c4ccc(C)cc4)C5=O)cc3C2=O)cc1C.COc1ccc(N2C(=O)c3ccc4c5c(ccc(c35)C2=O)C(=O)N(c2ccc(C)c(C)c2)C4=O)cc1C.COc1ccc(N2C(=O)c3ccc4c5c(ccc(c35)C2=O)C(=O)N(c2ccc(C)cc2)C4=O)cc1.COc1ccc(N2C(=O)c3ccc4c5c(ccc(c35)C2=O)C(=O)N(c2ccc(C)cc2)C4=O)cc1C.COc1ccc(Oc2ccc(S(=O)(=O)c3ccc(C)cc3)cc2)c(OC(F)(F)C(F)(F)C(F)(F)C(C)(F)F)c1.COc1ccc(Oc2ccc(S(=O)(=O)c3ccc(C)cc3)cc2)cc1.COc1ccc(S(=O)(=O)c2ccc(Oc3cccc(N4C(=O)c5ccc6c7c(ccc(c57)C4=O)C(=O)N(c4cccc(C)c4)C6=O)c3)c(C)c2)cc1C.
What is the InChIKey of 6-(3,4-dimethylphenyl)-13-(4-methoxy-3-methylphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;5-[2-(4-methoxy-3-methylphenyl)-1,3-dioxoisoindol-5-yl]oxy-2-(4-methylphenyl)isoindole-1,3-dione;6-(4-methoxy-3-methylphenyl)-13-(4-methylphenyl)-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-[3-[4-(4-methoxy-3-methylphenyl)sulfonyl-2-methylphenoxy]phenyl]-13-(3-methylphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;4-methoxy-1-[4-(4-methylphenyl)sulfonylphenoxy]-2-(1,1,2,2,3,3,4,4-octafluoropentoxy)benzene;1-[4-(4-methoxyphenoxy)phenyl]sulfonyl-4-methylbenzene;5-[2-(4-methoxyphenyl)-1,3-dioxoisoindol-5-yl]oxy-2-(4-methylphenyl)isoindole-1,3-dione;6-(4-methoxyphenyl)-13-(4-methylphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone?
The InChIKey is LDCLGMBMDJMBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30N2O8S.C31H22N2O6.C30H20N2O6.C30H22N2O5.C29H20N2O5.C28H18N2O5.C25H20F8O5S.C20H18O4S/c1-23-7-5-8-26(19-23)43-39(45)31-13-15-33-38-34(16-14-32(37(31)38)40(43)46)42(48)44(41(33)47)27-9-6-10-28(22-27)52-36-18-12-30(21-25(36)3)53(49,50)29-11-17-35(51-4)24(2)20-29;1-17-4-6-19(7-5-17)32-28(34)23-11-9-21(15-25(23)30(32)36)39-22-10-12-24-26(16-22)31(37)33(29(24)35)20-8-13-27(38-3)18(2)14-20;1-17-3-5-18(6-4-17)31-27(33)23-13-11-21(15-25(23)29(31)35)38-22-12-14-24-26(16-22)30(36)32(28(24)34)19-7-9-20(37-2)10-8-19;1-15-5-6-18(13-16(15)2)31-27(33)20-8-10-22-26-23(11-9-21(25(20)26)28(31)34)30(36)32(29(22)35)19-7-12-24(37-4)17(3)14-19;1-15-4-6-17(7-5-15)30-26(32)19-9-11-21-25-22(12-10-20(24(19)25)27(30)33)29(35)31(28(21)34)18-8-13-23(36-3)16(2)14-18;1-15-3-5-16(6-4-15)29-25(31)19-11-13-21-24-22(14-12-20(23(19)24)26(29)32)28(34)30(27(21)33)17-7-9-18(35-2)10-8-17;1-15-4-9-18(10-5-15)39(34,35)19-11-6-16(7-12-19)37-20-13-8-17(36-3)14-21(20)38-25(32,33)24(30,31)23(28,29)22(2,26)27;1-15-3-11-19(12-4-15)25(21,22)20-13-9-18(10-14-20)24-17-7-5-16(23-2)6-8-17/h5-22H,1-4H3;4-16H,1-3H3;3-16H,1-2H3;5-14H,1-4H3;4-14H,1-3H3;3-14H,1-2H3;4-14H,1-3H3;3-14H,1-2H3.
What are the key properties of 6-(3,4-dimethylphenyl)-13-(4-methoxy-3-methylphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;5-[2-(4-methoxy-3-methylphenyl)-1,3-dioxoisoindol-5-yl]oxy-2-(4-methylphenyl)isoindole-1,3-dione;6-(4-methoxy-3-methylphenyl)-13-(4-methylphenyl)-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-[3-[4-(4-methoxy-3-methylphenyl)sulfonyl-2-methylphenoxy]phenyl]-13-(3-methylphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;4-methoxy-1-[4-(4-methylphenyl)sulfonylphenoxy]-2-(1,1,2,2,3,3,4,4-octafluoropentoxy)benzene;1-[4-(4-methoxyphenoxy)phenyl]sulfonyl-4-methylbenzene;5-[2-(4-methoxyphenyl)-1,3-dioxoisoindol-5-yl]oxy-2-(4-methylphenyl)isoindole-1,3-dione;6-(4-methoxyphenyl)-13-(4-methylphenyl)-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-(3,4-dimethylphenyl)-13-(4-methoxy-3-methylphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;5-[2-(4-methoxy-3-methylphenyl)-1,3-dioxoisoindol-5-yl]oxy-2-(4-methylphenyl)isoindole-1,3-dione;6-(4-methoxy-3-methylphenyl)-13-(4-methylphenyl)-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-[3-[4-(4-methoxy-3-methylphenyl)sulfonyl-2-methylphenoxy]phenyl]-13-(3-methylphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;4-methoxy-1-[4-(4-methylphenyl)sulfonylphenoxy]-2-(1,1,2,2,3,3,4,4-octafluoropentoxy)benzene;1-[4-(4-methoxyphenoxy)phenyl]sulfonyl-4-methylbenzene;5-[2-(4-methoxyphenyl)-1,3-dioxoisoindol-5-yl]oxy-2-(4-methylphenyl)isoindole-1,3-dione;6-(4-methoxyphenyl)-13-(4-methylphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone has a molecular weight of 4114.17 g/mol, XLogP of 46.46, 41 rotatable bonds, 0 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethylphenyl)-13-(4-methoxy-3-methylphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;5-[2-(4-methoxy-3-methylphenyl)-1,3-dioxoisoindol-5-yl]oxy-2-(4-methylphenyl)isoindole-1,3-dione;6-(4-methoxy-3-methylphenyl)-13-(4-methylphenyl)-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-[3-[4-(4-methoxy-3-methylphenyl)sulfonyl-2-methylphenoxy]phenyl]-13-(3-methylphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;4-methoxy-1-[4-(4-methylphenyl)sulfonylphenoxy]-2-(1,1,2,2,3,3,4,4-octafluoropentoxy)benzene;1-[4-(4-methoxyphenoxy)phenyl]sulfonyl-4-methylbenzene;5-[2-(4-methoxyphenyl)-1,3-dioxoisoindol-5-yl]oxy-2-(4-methylphenyl)isoindole-1,3-dione;6-(4-methoxyphenyl)-13-(4-methylphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone is sourced from PubChem (CID 159315696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).