2-[2-[4-[5-[5-[2-[2-[2,5-dihydroxy-4-(5-methyl-1H-benzimidazol-2-yl)phenyl]-3H-indol-6-yl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]-1H-benzimidazol-2-yl]-2,5-dihydroxyphenyl]-3H-indol-6-yl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-[3-[5-[5-(1,3-dioxo-2-phenylisoindol-5-yl)-1,3-dioxoisoindol-2-yl]-1H-benzimidazol-2-yl]-4-hydroxyphenyl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-[4-hydroxy-3-[5-[5-[2-[4-hydroxy-3-(5-methyl-1H-benzimidazol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]-1H-benzimidazol-2-yl]phenyl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;5-[2-[2-[2-hydroxy-5-[5-[2-[3-hydroxy-4-(5-methyl-1H-benzimidazol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenyl]-3H-benzimidazol-5-yl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;5-[2-[3-hydroxy-4-[5-[2-(2-hydroxy-4-methylphenyl)-3H-indol-5-yl]-1H-benzimidazol-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;5-[2-[4-[4-[5-[2-[3-hydroxy-4-[11-(2-hydroxy-4-methylphenyl)-2,4,6,12-tetrazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,11-pentaen-5-yl]phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;5-[2-[4-hydroxy-3-(5-methyl-1H-benzimidazol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;2-[4-[5-[2-[4-hydroxy-3-(6-methyl-3H-indol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone

C419H240N54O72 — CID 159168431

IUPAC2-[2-[4-[5-[5-[2-[2-[2,5-dihydroxy-4-(5-methyl-1H-benzimidazol-2-yl)phenyl]-3H-indol-6-yl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]-1H-benzimidazol-2-yl]-2,5-dihydroxyphenyl]-3H-indol-6-yl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-[3-[5-[5-(1,3-dioxo-2-phenylisoindol-5-yl)-1,3-dioxoisoindol-2-yl]-1H-benzimidazol-2-yl]-4-hydroxyphenyl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-[4-hydroxy-3-[5-[5-[2-[4-hydroxy-3-(5-methyl-1H-benzimidazol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]-1H-benzimidazol-2-yl]phenyl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;5-[2-[2-[2-hydroxy-5-[5-[2-[3-hydroxy-4-(5-methyl-1H-benzimidazol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenyl]-3H-benzimidazol-5-yl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;5-[2-[3-hydroxy-4-[5-[2-(2-hydroxy-4-methylphenyl)-3H-indol-5-yl]-1H-benzimidazol-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;5-[2-[4-[4-[5-[2-[3-hydroxy-4-[11-(2-hydroxy-4-methylphenyl)-2,4,6,12-tetrazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,11-pentaen-5-yl]phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;5-[2-[4-hydroxy-3-(5-methyl-1H-benzimidazol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;2-[4-[5-[2-[4-hydroxy-3-(6-methyl-3H-indol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
SMILESCc1ccc(C2=Nc3ccc(-c4ccc5[nH]c(-c6ccc(N7C(=O)c8ccc(-c9ccc%10c(c9)C(=O)N(C)C%10=O)cc8C7=O)cc6O)nc5c4)cc3C2)c(O)c1.Cc1ccc(C2=Nc3nc4[nH]c(-c5ccc(N6C(=O)c7ccc(-c8ccc9c(c8)C(=O)N(c8ccc(Oc%10ccc(N%11C(=O)c%12ccc(-c%13ccc%14c(c%13)C(=O)N(C)C%14=O)cc%12C%11=O)cc%10)cc8)C9=O)cc7C6=O)cc5O)nc4cc3C2)c(O)c1.Cc1ccc2[nH]c(-c3cc(N4C(=O)c5ccc(-c6ccc7c(c6)C(=O)N(C)C7=O)cc5C4=O)ccc3O)nc2c1.Cc1ccc2[nH]c(-c3cc(N4C(=O)c5ccc(-c6ccc7c(c6)C(=O)N(c6ccc8[nH]c(-c9cc(-n%10c(=O)c%11cc%12c(=O)n(C)c(=O)c%12cc%11c%10=O)ccc9O)nc8c6)C7=O)cc5C4=O)ccc3O)nc2c1.Cc1ccc2[nH]c(-c3cc(O)c(C4=Nc5cc(N6C(=O)c7ccc(-c8ccc9c(c8)C(=O)N(c8ccc%10[nH]c(-c%11cc(O)c(C%12=Nc%13cc(-n%14c(=O)c%15cc%16c(=O)n(C)c(=O)c%16cc%15c%14=O)ccc%13C%12)cc%11O)nc%10c8)C9=O)cc7C6=O)ccc5C4)cc3O)nc2c1.Cc1ccc2[nH]c(-c3ccc(N4C(=O)c5ccc(-c6ccc7c(c6)C(=O)N(c6ccc(O)c(-c8nc9ccc(N%10C(=O)c%11ccc(-c%12ccc%13c(c%12)C(=O)N(C)C%13=O)cc%11C%10=O)cc9[nH]8)c6)C7=O)cc5C4=O)cc3O)nc2c1.Cc1ccc2c(c1)N=C(c1cc(N3C(=O)c4ccc(-c5ccc6c(c5)C(=O)N(c5ccc(-n7c(=O)c8cc9c(=O)[nH]c(=O)c9cc8c7=O)cc5)C6=O)cc4C3=O)ccc1O)C2.Cn1c(=O)c2cc3c(=O)n(-c4ccc(O)c(-c5nc6cc(N7C(=O)c8ccc(-c9ccc%10c(c9)C(=O)N(c9ccccc9)C%10=O)cc8C7=O)ccc6[nH]5)c4)c(=O)c3cc2c1=O
InChIInChI=1S/C70H40N10O12.C66H38N8O11.C60H34N8O10.C54H30N8O10.C47H25N5O9.C46H24N6O9.C45H29N5O6.C31H20N4O5/c1-29-3-13-49-55(15-29)75-61(73-49)47-27-57(81)45(25-59(47)83)53-18-32-4-8-34(20-51(32)71-53)78-65(87)37-11-6-30(16-39(37)67(78)89)31-7-12-38-40(17-31)68(90)79(66(38)88)36-10-14-50-56(22-36)76-62(74-50)48-28-58(82)46(26-60(48)84)54-19-33-5-9-35(21-52(33)72-54)80-69(91)43-23-41-42(24-44(43)70(80)92)64(86)77(2)63(41)85;1-31-3-17-46(54(75)23-31)52-28-36-29-53-58(69-56(36)67-52)70-57(68-53)47-22-12-39(30-55(47)76)74-63(81)45-21-7-35(27-51(45)66(74)84)34-6-20-44-50(26-34)65(83)73(62(44)80)38-10-15-41(16-11-38)85-40-13-8-37(9-14-40)72-61(79)43-19-5-33(25-49(43)64(72)82)32-4-18-42-48(24-32)60(78)71(2)59(42)77;1-27-3-16-45-47(19-27)63-51(61-45)39-15-8-34(26-50(39)70)68-57(75)38-14-7-31(23-43(38)60(68)78)30-6-12-36-41(22-30)58(76)66(55(36)73)32-10-18-49(69)44(24-32)52-62-46-17-9-33(25-48(46)64-52)67-56(74)37-13-5-29(21-42(37)59(67)77)28-4-11-35-40(20-28)54(72)65(2)53(35)71;1-23-3-11-39-41(15-23)57-45(55-39)37-18-26(7-13-43(37)63)60-49(67)29-9-4-24(16-31(29)51(60)69)25-5-10-30-32(17-25)52(70)62(50(30)68)28-6-12-40-42(20-28)58-46(56-40)38-19-27(8-14-44(38)64)61-53(71)35-21-33-34(22-36(35)54(61)72)48(66)59(2)47(33)65;1-21-2-3-24-17-38(48-37(24)14-21)36-18-27(10-13-39(36)53)52-43(57)29-12-5-23(16-33(29)45(52)59)22-4-11-28-32(15-22)44(58)50(42(28)56)25-6-8-26(9-7-25)51-46(60)34-19-30-31(20-35(34)47(51)61)41(55)49-40(30)54;1-49-39(54)30-19-32-33(20-31(30)40(49)55)46(61)51(45(32)60)24-10-14-37(53)34(17-24)38-47-35-13-9-25(18-36(35)48-38)52-42(57)27-12-8-22(16-29(27)44(52)59)21-7-11-26-28(15-21)43(58)50(41(26)56)23-5-3-2-4-6-23;1-22-3-9-31(39(51)15-22)37-20-27-16-23(6-13-35(27)46-37)26-7-14-36-38(19-26)48-41(47-36)32-12-8-28(21-40(32)52)50-44(55)30-11-5-25(18-34(30)45(50)56)24-4-10-29-33(17-24)43(54)49(2)42(29)53;1-15-3-9-24-25(11-15)33-27(32-24)23-14-18(6-10-26(23)36)35-30(39)20-8-5-17(13-22(20)31(35)40)16-4-7-19-21(12-16)29(38)34(2)28(19)37/h3-17,20-28,81-84H,18-19H2,1-2H3,(H,73,75)(H,74,76);3-27,29-30,75-76H,28H2,1-2H3,(H,68,69,70);3-26,69-70H,1-2H3,(H,61,63)(H,62,64);3-22,63-64H,1-2H3,(H,55,57)(H,56,58);2-16,18-20,53H,17H2,1H3,(H,49,54,55);2-20,53H,1H3,(H,47,48);3-19,21,51-52H,20H2,1-2H3,(H,47,48);3-14,36H,1-2H3,(H,32,33)
InChIKeyKLJIZQYXOWGZLS-UHFFFAOYSA-N
MW7182.84 g/mol
LogP59.29
Rot. Bonds48

About 2-[2-[4-[5-[5-[2-[2-[2,5-dihydroxy-4-(5-methyl-1H-benzimidazol-2-yl)phenyl]-3H-indol-6-yl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]-1H-benzimidazol-2-yl]-2,5-dihydroxyphenyl]-3H-indol-6-yl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-[3-[5-[5-(1,3-dioxo-2-phenylisoindol-5-yl)-1,3-dioxoisoindol-2-yl]-1H-benzimidazol-2-yl]-4-hydroxyphenyl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-[4-hydroxy-3-[5-[5-[2-[4-hydroxy-3-(5-methyl-1H-benzimidazol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]-1H-benzimidazol-2-yl]phenyl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;5-[2-[2-[2-hydroxy-5-[5-[2-[3-hydroxy-4-(5-methyl-1H-benzimidazol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenyl]-3H-benzimidazol-5-yl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;5-[2-[3-hydroxy-4-[5-[2-(2-hydroxy-4-methylphenyl)-3H-indol-5-yl]-1H-benzimidazol-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;5-[2-[4-[4-[5-[2-[3-hydroxy-4-[11-(2-hydroxy-4-methylphenyl)-2,4,6,12-tetrazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,11-pentaen-5-yl]phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;5-[2-[4-hydroxy-3-(5-methyl-1H-benzimidazol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;2-[4-[5-[2-[4-hydroxy-3-(6-methyl-3H-indol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone

2-[2-[4-[5-[5-[2-[2-[2,5-dihydroxy-4-(5-methyl-1H-benzimidazol-2-yl)phenyl]-3H-indol-6-yl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]-1H-benzimidazol-2-yl]-2,5-dihydroxyphenyl]-3H-indol-6-yl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-[3-[5-[5-(1,3-dioxo-2-phenylisoindol-5-yl)-1,3-dioxoisoindol-2-yl]-1H-benzimidazol-2-yl]-4-hydroxyphenyl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-[4-hydroxy-3-[5-[5-[2-[4-hydroxy-3-(5-methyl-1H-benzimidazol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]-1H-benzimidazol-2-yl]phenyl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;5-[2-[2-[2-hydroxy-5-[5-[2-[3-hydroxy-4-(5-methyl-1H-benzimidazol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenyl]-3H-benzimidazol-5-yl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;5-[2-[3-hydroxy-4-[5-[2-(2-hydroxy-4-methylphenyl)-3H-indol-5-yl]-1H-benzimidazol-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;5-[2-[4-[4-[5-[2-[3-hydroxy-4-[11-(2-hydroxy-4-methylphenyl)-2,4,6,12-tetrazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,11-pentaen-5-yl]phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;5-[2-[4-hydroxy-3-(5-methyl-1H-benzimidazol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;2-[4-[5-[2-[4-hydroxy-3-(6-methyl-3H-indol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone (PubChem CID 159168431) has the molecular formula C419H240N54O72 and a molecular weight of 7182.84 g/mol. Its IUPAC name is 2-[2-[4-[5-[5-[2-[2-[2,5-dihydroxy-4-(5-methyl-1H-benzimidazol-2-yl)phenyl]-3H-indol-6-yl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]-1H-benzimidazol-2-yl]-2,5-dihydroxyphenyl]-3H-indol-6-yl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-[3-[5-[5-(1,3-dioxo-2-phenylisoindol-5-yl)-1,3-dioxoisoindol-2-yl]-1H-benzimidazol-2-yl]-4-hydroxyphenyl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-[4-hydroxy-3-[5-[5-[2-[4-hydroxy-3-(5-methyl-1H-benzimidazol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]-1H-benzimidazol-2-yl]phenyl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;5-[2-[2-[2-hydroxy-5-[5-[2-[3-hydroxy-4-(5-methyl-1H-benzimidazol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenyl]-3H-benzimidazol-5-yl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;5-[2-[3-hydroxy-4-[5-[2-(2-hydroxy-4-methylphenyl)-3H-indol-5-yl]-1H-benzimidazol-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;5-[2-[4-[4-[5-[2-[3-hydroxy-4-[11-(2-hydroxy-4-methylphenyl)-2,4,6,12-tetrazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,11-pentaen-5-yl]phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;5-[2-[4-hydroxy-3-(5-methyl-1H-benzimidazol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;2-[4-[5-[2-[4-hydroxy-3-(6-methyl-3H-indol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone.

Molecular Properties

Compound Name2-[2-[4-[5-[5-[2-[2-[2,5-dihydroxy-4-(5-methyl-1H-benzimidazol-2-yl)phenyl]-3H-indol-6-yl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]-1H-benzimidazol-2-yl]-2,5-dihydroxyphenyl]-3H-indol-6-yl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-[3-[5-[5-(1,3-dioxo-2-phenylisoindol-5-yl)-1,3-dioxoisoindol-2-yl]-1H-benzimidazol-2-yl]-4-hydroxyphenyl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-[4-hydroxy-3-[5-[5-[2-[4-hydroxy-3-(5-methyl-1H-benzimidazol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]-1H-benzimidazol-2-yl]phenyl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;5-[2-[2-[2-hydroxy-5-[5-[2-[3-hydroxy-4-(5-methyl-1H-benzimidazol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenyl]-3H-benzimidazol-5-yl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;5-[2-[3-hydroxy-4-[5-[2-(2-hydroxy-4-methylphenyl)-3H-indol-5-yl]-1H-benzimidazol-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;5-[2-[4-[4-[5-[2-[3-hydroxy-4-[11-(2-hydroxy-4-methylphenyl)-2,4,6,12-tetrazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,11-pentaen-5-yl]phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;5-[2-[4-hydroxy-3-(5-methyl-1H-benzimidazol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;2-[4-[5-[2-[4-hydroxy-3-(6-methyl-3H-indol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
PubChem CID159168431
Molecular FormulaC419H240N54O72
Molecular Weight7182.84 g/mol
Exact Mass7177.68
IUPAC Name2-[2-[4-[5-[5-[2-[2-[2,5-dihydroxy-4-(5-methyl-1H-benzimidazol-2-yl)phenyl]-3H-indol-6-yl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]-1H-benzimidazol-2-yl]-2,5-dihydroxyphenyl]-3H-indol-6-yl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-[3-[5-[5-(1,3-dioxo-2-phenylisoindol-5-yl)-1,3-dioxoisoindol-2-yl]-1H-benzimidazol-2-yl]-4-hydroxyphenyl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-[4-hydroxy-3-[5-[5-[2-[4-hydroxy-3-(5-methyl-1H-benzimidazol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]-1H-benzimidazol-2-yl]phenyl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;5-[2-[2-[2-hydroxy-5-[5-[2-[3-hydroxy-4-(5-methyl-1H-benzimidazol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenyl]-3H-benzimidazol-5-yl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;5-[2-[3-hydroxy-4-[5-[2-(2-hydroxy-4-methylphenyl)-3H-indol-5-yl]-1H-benzimidazol-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;5-[2-[4-[4-[5-[2-[3-hydroxy-4-[11-(2-hydroxy-4-methylphenyl)-2,4,6,12-tetrazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,11-pentaen-5-yl]phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;5-[2-[4-hydroxy-3-(5-methyl-1H-benzimidazol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;2-[4-[5-[2-[4-hydroxy-3-(6-methyl-3H-indol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
SMILESCc1ccc(C2=Nc3ccc(-c4ccc5[nH]c(-c6ccc(N7C(=O)c8ccc(-c9ccc%10c(c9)C(=O)N(C)C%10=O)cc8C7=O)cc6O)nc5c4)cc3C2)c(O)c1.Cc1ccc(C2=Nc3nc4[nH]c(-c5ccc(N6C(=O)c7ccc(-c8ccc9c(c8)C(=O)N(c8ccc(Oc%10ccc(N%11C(=O)c%12ccc(-c%13ccc%14c(c%13)C(=O)N(C)C%14=O)cc%12C%11=O)cc%10)cc8)C9=O)cc7C6=O)cc5O)nc4cc3C2)c(O)c1.Cc1ccc2[nH]c(-c3cc(N4C(=O)c5ccc(-c6ccc7c(c6)C(=O)N(C)C7=O)cc5C4=O)ccc3O)nc2c1.Cc1ccc2[nH]c(-c3cc(N4C(=O)c5ccc(-c6ccc7c(c6)C(=O)N(c6ccc8[nH]c(-c9cc(-n%10c(=O)c%11cc%12c(=O)n(C)c(=O)c%12cc%11c%10=O)ccc9O)nc8c6)C7=O)cc5C4=O)ccc3O)nc2c1.Cc1ccc2[nH]c(-c3cc(O)c(C4=Nc5cc(N6C(=O)c7ccc(-c8ccc9c(c8)C(=O)N(c8ccc%10[nH]c(-c%11cc(O)c(C%12=Nc%13cc(-n%14c(=O)c%15cc%16c(=O)n(C)c(=O)c%16cc%15c%14=O)ccc%13C%12)cc%11O)nc%10c8)C9=O)cc7C6=O)ccc5C4)cc3O)nc2c1.Cc1ccc2[nH]c(-c3ccc(N4C(=O)c5ccc(-c6ccc7c(c6)C(=O)N(c6ccc(O)c(-c8nc9ccc(N%10C(=O)c%11ccc(-c%12ccc%13c(c%12)C(=O)N(C)C%13=O)cc%11C%10=O)cc9[nH]8)c6)C7=O)cc5C4=O)cc3O)nc2c1.Cc1ccc2c(c1)N=C(c1cc(N3C(=O)c4ccc(-c5ccc6c(c5)C(=O)N(c5ccc(-n7c(=O)c8cc9c(=O)[nH]c(=O)c9cc8c7=O)cc5)C6=O)cc4C3=O)ccc1O)C2.Cn1c(=O)c2cc3c(=O)n(-c4ccc(O)c(-c5nc6cc(N7C(=O)c8ccc(-c9ccc%10c(c9)C(=O)N(c9ccccc9)C%10=O)cc8C7=O)ccc6[nH]5)c4)c(=O)c3cc2c1=O
InChIInChI=1S/C70H40N10O12.C66H38N8O11.C60H34N8O10.C54H30N8O10.C47H25N5O9.C46H24N6O9.C45H29N5O6.C31H20N4O5/c1-29-3-13-49-55(15-29)75-61(73-49)47-27-57(81)45(25-59(47)83)53-18-32-4-8-34(20-51(32)71-53)78-65(87)37-11-6-30(16-39(37)67(78)89)31-7-12-38-40(17-31)68(90)79(66(38)88)36-10-14-50-56(22-36)76-62(74-50)48-28-58(82)46(26-60(48)84)54-19-33-5-9-35(21-52(33)72-54)80-69(91)43-23-41-42(24-44(43)70(80)92)64(86)77(2)63(41)85;1-31-3-17-46(54(75)23-31)52-28-36-29-53-58(69-56(36)67-52)70-57(68-53)47-22-12-39(30-55(47)76)74-63(81)45-21-7-35(27-51(45)66(74)84)34-6-20-44-50(26-34)65(83)73(62(44)80)38-10-15-41(16-11-38)85-40-13-8-37(9-14-40)72-61(79)43-19-5-33(25-49(43)64(72)82)32-4-18-42-48(24-32)60(78)71(2)59(42)77;1-27-3-16-45-47(19-27)63-51(61-45)39-15-8-34(26-50(39)70)68-57(75)38-14-7-31(23-43(38)60(68)78)30-6-12-36-41(22-30)58(76)66(55(36)73)32-10-18-49(69)44(24-32)52-62-46-17-9-33(25-48(46)64-52)67-56(74)37-13-5-29(21-42(37)59(67)77)28-4-11-35-40(20-28)54(72)65(2)53(35)71;1-23-3-11-39-41(15-23)57-45(55-39)37-18-26(7-13-43(37)63)60-49(67)29-9-4-24(16-31(29)51(60)69)25-5-10-30-32(17-25)52(70)62(50(30)68)28-6-12-40-42(20-28)58-46(56-40)38-19-27(8-14-44(38)64)61-53(71)35-21-33-34(22-36(35)54(61)72)48(66)59(2)47(33)65;1-21-2-3-24-17-38(48-37(24)14-21)36-18-27(10-13-39(36)53)52-43(57)29-12-5-23(16-33(29)45(52)59)22-4-11-28-32(15-22)44(58)50(42(28)56)25-6-8-26(9-7-25)51-46(60)34-19-30-31(20-35(34)47(51)61)41(55)49-40(30)54;1-49-39(54)30-19-32-33(20-31(30)40(49)55)46(61)51(45(32)60)24-10-14-37(53)34(17-24)38-47-35-13-9-25(18-36(35)48-38)52-42(57)27-12-8-22(16-29(27)44(52)59)21-7-11-26-28(15-21)43(58)50(41(26)56)23-5-3-2-4-6-23;1-22-3-9-31(39(51)15-22)37-20-27-16-23(6-13-35(27)46-37)26-7-14-36-38(19-26)48-41(47-36)32-12-8-28(21-40(32)52)50-44(55)30-11-5-25(18-34(30)45(50)56)24-4-10-29-33(17-24)43(54)49(2)42(29)53;1-15-3-9-24-25(11-15)33-27(32-24)23-14-18(6-10-26(23)36)35-30(39)20-8-5-17(13-22(20)31(35)40)16-4-7-19-21(12-16)29(38)34(2)28(19)37/h3-17,20-28,81-84H,18-19H2,1-2H3,(H,73,75)(H,74,76);3-27,29-30,75-76H,28H2,1-2H3,(H,68,69,70);3-26,69-70H,1-2H3,(H,61,63)(H,62,64);3-22,63-64H,1-2H3,(H,55,57)(H,56,58);2-16,18-20,53H,17H2,1H3,(H,49,54,55);2-20,53H,1H3,(H,47,48);3-19,21,51-52H,20H2,1-2H3,(H,47,48);3-14,36H,1-2H3,(H,32,33)
InChIKeyKLJIZQYXOWGZLS-UHFFFAOYSA-N
XLogP59.29
TPSA1745.19 Ų
H-Bond Donors26
H-Bond Acceptors95
Rotatable Bonds48
Heavy Atoms545
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5007182.84
LogP ≤ 559.29
H-Bond Donors ≤ 526
H-Bond Acceptors ≤ 1095

Analyze 2-[2-[4-[5-[5-[2-[2-[2,5-dihydroxy-4-(5-methyl-1H-benzimidazol-2-yl)phenyl]-3H-indol-6-yl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]-1H-benzimidazol-2-yl]-2,5-dihydroxyphenyl]-3H-indol-6-yl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-[3-[5-[5-(1,3-dioxo-2-phenylisoindol-5-yl)-1,3-dioxoisoindol-2-yl]-1H-benzimidazol-2-yl]-4-hydroxyphenyl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-[4-hydroxy-3-[5-[5-[2-[4-hydroxy-3-(5-methyl-1H-benzimidazol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]-1H-benzimidazol-2-yl]phenyl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;5-[2-[2-[2-hydroxy-5-[5-[2-[3-hydroxy-4-(5-methyl-1H-benzimidazol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenyl]-3H-benzimidazol-5-yl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;5-[2-[3-hydroxy-4-[5-[2-(2-hydroxy-4-methylphenyl)-3H-indol-5-yl]-1H-benzimidazol-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;5-[2-[4-[4-[5-[2-[3-hydroxy-4-[11-(2-hydroxy-4-methylphenyl)-2,4,6,12-tetrazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,11-pentaen-5-yl]phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;5-[2-[4-hydroxy-3-(5-methyl-1H-benzimidazol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;2-[4-[5-[2-[4-hydroxy-3-(6-methyl-3H-indol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]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 2-[2-[4-[5-[5-[2-[2-[2,5-dihydroxy-4-(5-methyl-1H-benzimidazol-2-yl)phenyl]-3H-indol-6-yl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]-1H-benzimidazol-2-yl]-2,5-dihydroxyphenyl]-3H-indol-6-yl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-[3-[5-[5-(1,3-dioxo-2-phenylisoindol-5-yl)-1,3-dioxoisoindol-2-yl]-1H-benzimidazol-2-yl]-4-hydroxyphenyl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-[4-hydroxy-3-[5-[5-[2-[4-hydroxy-3-(5-methyl-1H-benzimidazol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]-1H-benzimidazol-2-yl]phenyl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;5-[2-[2-[2-hydroxy-5-[5-[2-[3-hydroxy-4-(5-methyl-1H-benzimidazol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenyl]-3H-benzimidazol-5-yl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;5-[2-[3-hydroxy-4-[5-[2-(2-hydroxy-4-methylphenyl)-3H-indol-5-yl]-1H-benzimidazol-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;5-[2-[4-[4-[5-[2-[3-hydroxy-4-[11-(2-hydroxy-4-methylphenyl)-2,4,6,12-tetrazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,11-pentaen-5-yl]phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;5-[2-[4-hydroxy-3-(5-methyl-1H-benzimidazol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;2-[4-[5-[2-[4-hydroxy-3-(6-methyl-3H-indol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The IUPAC name of 2-[2-[4-[5-[5-[2-[2-[2,5-dihydroxy-4-(5-methyl-1H-benzimidazol-2-yl)phenyl]-3H-indol-6-yl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]-1H-benzimidazol-2-yl]-2,5-dihydroxyphenyl]-3H-indol-6-yl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-[3-[5-[5-(1,3-dioxo-2-phenylisoindol-5-yl)-1,3-dioxoisoindol-2-yl]-1H-benzimidazol-2-yl]-4-hydroxyphenyl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-[4-hydroxy-3-[5-[5-[2-[4-hydroxy-3-(5-methyl-1H-benzimidazol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]-1H-benzimidazol-2-yl]phenyl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;5-[2-[2-[2-hydroxy-5-[5-[2-[3-hydroxy-4-(5-methyl-1H-benzimidazol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenyl]-3H-benzimidazol-5-yl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;5-[2-[3-hydroxy-4-[5-[2-(2-hydroxy-4-methylphenyl)-3H-indol-5-yl]-1H-benzimidazol-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;5-[2-[4-[4-[5-[2-[3-hydroxy-4-[11-(2-hydroxy-4-methylphenyl)-2,4,6,12-tetrazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,11-pentaen-5-yl]phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;5-[2-[4-hydroxy-3-(5-methyl-1H-benzimidazol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;2-[4-[5-[2-[4-hydroxy-3-(6-methyl-3H-indol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone (CID 159168431) is 2-[2-[4-[5-[5-[2-[2-[2,5-dihydroxy-4-(5-methyl-1H-benzimidazol-2-yl)phenyl]-3H-indol-6-yl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]-1H-benzimidazol-2-yl]-2,5-dihydroxyphenyl]-3H-indol-6-yl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-[3-[5-[5-(1,3-dioxo-2-phenylisoindol-5-yl)-1,3-dioxoisoindol-2-yl]-1H-benzimidazol-2-yl]-4-hydroxyphenyl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-[4-hydroxy-3-[5-[5-[2-[4-hydroxy-3-(5-methyl-1H-benzimidazol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]-1H-benzimidazol-2-yl]phenyl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;5-[2-[2-[2-hydroxy-5-[5-[2-[3-hydroxy-4-(5-methyl-1H-benzimidazol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenyl]-3H-benzimidazol-5-yl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;5-[2-[3-hydroxy-4-[5-[2-(2-hydroxy-4-methylphenyl)-3H-indol-5-yl]-1H-benzimidazol-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;5-[2-[4-[4-[5-[2-[3-hydroxy-4-[11-(2-hydroxy-4-methylphenyl)-2,4,6,12-tetrazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,11-pentaen-5-yl]phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;5-[2-[4-hydroxy-3-(5-methyl-1H-benzimidazol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;2-[4-[5-[2-[4-hydroxy-3-(6-methyl-3H-indol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone.
What is the SMILES notation for 2-[2-[4-[5-[5-[2-[2-[2,5-dihydroxy-4-(5-methyl-1H-benzimidazol-2-yl)phenyl]-3H-indol-6-yl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]-1H-benzimidazol-2-yl]-2,5-dihydroxyphenyl]-3H-indol-6-yl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-[3-[5-[5-(1,3-dioxo-2-phenylisoindol-5-yl)-1,3-dioxoisoindol-2-yl]-1H-benzimidazol-2-yl]-4-hydroxyphenyl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-[4-hydroxy-3-[5-[5-[2-[4-hydroxy-3-(5-methyl-1H-benzimidazol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]-1H-benzimidazol-2-yl]phenyl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;5-[2-[2-[2-hydroxy-5-[5-[2-[3-hydroxy-4-(5-methyl-1H-benzimidazol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenyl]-3H-benzimidazol-5-yl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;5-[2-[3-hydroxy-4-[5-[2-(2-hydroxy-4-methylphenyl)-3H-indol-5-yl]-1H-benzimidazol-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;5-[2-[4-[4-[5-[2-[3-hydroxy-4-[11-(2-hydroxy-4-methylphenyl)-2,4,6,12-tetrazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,11-pentaen-5-yl]phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;5-[2-[4-hydroxy-3-(5-methyl-1H-benzimidazol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;2-[4-[5-[2-[4-hydroxy-3-(6-methyl-3H-indol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The canonical SMILES for 2-[2-[4-[5-[5-[2-[2-[2,5-dihydroxy-4-(5-methyl-1H-benzimidazol-2-yl)phenyl]-3H-indol-6-yl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]-1H-benzimidazol-2-yl]-2,5-dihydroxyphenyl]-3H-indol-6-yl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-[3-[5-[5-(1,3-dioxo-2-phenylisoindol-5-yl)-1,3-dioxoisoindol-2-yl]-1H-benzimidazol-2-yl]-4-hydroxyphenyl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-[4-hydroxy-3-[5-[5-[2-[4-hydroxy-3-(5-methyl-1H-benzimidazol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]-1H-benzimidazol-2-yl]phenyl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;5-[2-[2-[2-hydroxy-5-[5-[2-[3-hydroxy-4-(5-methyl-1H-benzimidazol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenyl]-3H-benzimidazol-5-yl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;5-[2-[3-hydroxy-4-[5-[2-(2-hydroxy-4-methylphenyl)-3H-indol-5-yl]-1H-benzimidazol-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;5-[2-[4-[4-[5-[2-[3-hydroxy-4-[11-(2-hydroxy-4-methylphenyl)-2,4,6,12-tetrazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,11-pentaen-5-yl]phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;5-[2-[4-hydroxy-3-(5-methyl-1H-benzimidazol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;2-[4-[5-[2-[4-hydroxy-3-(6-methyl-3H-indol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone is Cc1ccc(C2=Nc3ccc(-c4ccc5[nH]c(-c6ccc(N7C(=O)c8ccc(-c9ccc%10c(c9)C(=O)N(C)C%10=O)cc8C7=O)cc6O)nc5c4)cc3C2)c(O)c1.Cc1ccc(C2=Nc3nc4[nH]c(-c5ccc(N6C(=O)c7ccc(-c8ccc9c(c8)C(=O)N(c8ccc(Oc%10ccc(N%11C(=O)c%12ccc(-c%13ccc%14c(c%13)C(=O)N(C)C%14=O)cc%12C%11=O)cc%10)cc8)C9=O)cc7C6=O)cc5O)nc4cc3C2)c(O)c1.Cc1ccc2[nH]c(-c3cc(N4C(=O)c5ccc(-c6ccc7c(c6)C(=O)N(C)C7=O)cc5C4=O)ccc3O)nc2c1.Cc1ccc2[nH]c(-c3cc(N4C(=O)c5ccc(-c6ccc7c(c6)C(=O)N(c6ccc8[nH]c(-c9cc(-n%10c(=O)c%11cc%12c(=O)n(C)c(=O)c%12cc%11c%10=O)ccc9O)nc8c6)C7=O)cc5C4=O)ccc3O)nc2c1.Cc1ccc2[nH]c(-c3cc(O)c(C4=Nc5cc(N6C(=O)c7ccc(-c8ccc9c(c8)C(=O)N(c8ccc%10[nH]c(-c%11cc(O)c(C%12=Nc%13cc(-n%14c(=O)c%15cc%16c(=O)n(C)c(=O)c%16cc%15c%14=O)ccc%13C%12)cc%11O)nc%10c8)C9=O)cc7C6=O)ccc5C4)cc3O)nc2c1.Cc1ccc2[nH]c(-c3ccc(N4C(=O)c5ccc(-c6ccc7c(c6)C(=O)N(c6ccc(O)c(-c8nc9ccc(N%10C(=O)c%11ccc(-c%12ccc%13c(c%12)C(=O)N(C)C%13=O)cc%11C%10=O)cc9[nH]8)c6)C7=O)cc5C4=O)cc3O)nc2c1.Cc1ccc2c(c1)N=C(c1cc(N3C(=O)c4ccc(-c5ccc6c(c5)C(=O)N(c5ccc(-n7c(=O)c8cc9c(=O)[nH]c(=O)c9cc8c7=O)cc5)C6=O)cc4C3=O)ccc1O)C2.Cn1c(=O)c2cc3c(=O)n(-c4ccc(O)c(-c5nc6cc(N7C(=O)c8ccc(-c9ccc%10c(c9)C(=O)N(c9ccccc9)C%10=O)cc8C7=O)ccc6[nH]5)c4)c(=O)c3cc2c1=O.
What is the InChIKey of 2-[2-[4-[5-[5-[2-[2-[2,5-dihydroxy-4-(5-methyl-1H-benzimidazol-2-yl)phenyl]-3H-indol-6-yl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]-1H-benzimidazol-2-yl]-2,5-dihydroxyphenyl]-3H-indol-6-yl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-[3-[5-[5-(1,3-dioxo-2-phenylisoindol-5-yl)-1,3-dioxoisoindol-2-yl]-1H-benzimidazol-2-yl]-4-hydroxyphenyl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-[4-hydroxy-3-[5-[5-[2-[4-hydroxy-3-(5-methyl-1H-benzimidazol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]-1H-benzimidazol-2-yl]phenyl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;5-[2-[2-[2-hydroxy-5-[5-[2-[3-hydroxy-4-(5-methyl-1H-benzimidazol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenyl]-3H-benzimidazol-5-yl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;5-[2-[3-hydroxy-4-[5-[2-(2-hydroxy-4-methylphenyl)-3H-indol-5-yl]-1H-benzimidazol-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;5-[2-[4-[4-[5-[2-[3-hydroxy-4-[11-(2-hydroxy-4-methylphenyl)-2,4,6,12-tetrazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,11-pentaen-5-yl]phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;5-[2-[4-hydroxy-3-(5-methyl-1H-benzimidazol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;2-[4-[5-[2-[4-hydroxy-3-(6-methyl-3H-indol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The InChIKey is KLJIZQYXOWGZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H40N10O12.C66H38N8O11.C60H34N8O10.C54H30N8O10.C47H25N5O9.C46H24N6O9.C45H29N5O6.C31H20N4O5/c1-29-3-13-49-55(15-29)75-61(73-49)47-27-57(81)45(25-59(47)83)53-18-32-4-8-34(20-51(32)71-53)78-65(87)37-11-6-30(16-39(37)67(78)89)31-7-12-38-40(17-31)68(90)79(66(38)88)36-10-14-50-56(22-36)76-62(74-50)48-28-58(82)46(26-60(48)84)54-19-33-5-9-35(21-52(33)72-54)80-69(91)43-23-41-42(24-44(43)70(80)92)64(86)77(2)63(41)85;1-31-3-17-46(54(75)23-31)52-28-36-29-53-58(69-56(36)67-52)70-57(68-53)47-22-12-39(30-55(47)76)74-63(81)45-21-7-35(27-51(45)66(74)84)34-6-20-44-50(26-34)65(83)73(62(44)80)38-10-15-41(16-11-38)85-40-13-8-37(9-14-40)72-61(79)43-19-5-33(25-49(43)64(72)82)32-4-18-42-48(24-32)60(78)71(2)59(42)77;1-27-3-16-45-47(19-27)63-51(61-45)39-15-8-34(26-50(39)70)68-57(75)38-14-7-31(23-43(38)60(68)78)30-6-12-36-41(22-30)58(76)66(55(36)73)32-10-18-49(69)44(24-32)52-62-46-17-9-33(25-48(46)64-52)67-56(74)37-13-5-29(21-42(37)59(67)77)28-4-11-35-40(20-28)54(72)65(2)53(35)71;1-23-3-11-39-41(15-23)57-45(55-39)37-18-26(7-13-43(37)63)60-49(67)29-9-4-24(16-31(29)51(60)69)25-5-10-30-32(17-25)52(70)62(50(30)68)28-6-12-40-42(20-28)58-46(56-40)38-19-27(8-14-44(38)64)61-53(71)35-21-33-34(22-36(35)54(61)72)48(66)59(2)47(33)65;1-21-2-3-24-17-38(48-37(24)14-21)36-18-27(10-13-39(36)53)52-43(57)29-12-5-23(16-33(29)45(52)59)22-4-11-28-32(15-22)44(58)50(42(28)56)25-6-8-26(9-7-25)51-46(60)34-19-30-31(20-35(34)47(51)61)41(55)49-40(30)54;1-49-39(54)30-19-32-33(20-31(30)40(49)55)46(61)51(45(32)60)24-10-14-37(53)34(17-24)38-47-35-13-9-25(18-36(35)48-38)52-42(57)27-12-8-22(16-29(27)44(52)59)21-7-11-26-28(15-21)43(58)50(41(26)56)23-5-3-2-4-6-23;1-22-3-9-31(39(51)15-22)37-20-27-16-23(6-13-35(27)46-37)26-7-14-36-38(19-26)48-41(47-36)32-12-8-28(21-40(32)52)50-44(55)30-11-5-25(18-34(30)45(50)56)24-4-10-29-33(17-24)43(54)49(2)42(29)53;1-15-3-9-24-25(11-15)33-27(32-24)23-14-18(6-10-26(23)36)35-30(39)20-8-5-17(13-22(20)31(35)40)16-4-7-19-21(12-16)29(38)34(2)28(19)37/h3-17,20-28,81-84H,18-19H2,1-2H3,(H,73,75)(H,74,76);3-27,29-30,75-76H,28H2,1-2H3,(H,68,69,70);3-26,69-70H,1-2H3,(H,61,63)(H,62,64);3-22,63-64H,1-2H3,(H,55,57)(H,56,58);2-16,18-20,53H,17H2,1H3,(H,49,54,55);2-20,53H,1H3,(H,47,48);3-19,21,51-52H,20H2,1-2H3,(H,47,48);3-14,36H,1-2H3,(H,32,33).
What are the key properties of 2-[2-[4-[5-[5-[2-[2-[2,5-dihydroxy-4-(5-methyl-1H-benzimidazol-2-yl)phenyl]-3H-indol-6-yl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]-1H-benzimidazol-2-yl]-2,5-dihydroxyphenyl]-3H-indol-6-yl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-[3-[5-[5-(1,3-dioxo-2-phenylisoindol-5-yl)-1,3-dioxoisoindol-2-yl]-1H-benzimidazol-2-yl]-4-hydroxyphenyl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-[4-hydroxy-3-[5-[5-[2-[4-hydroxy-3-(5-methyl-1H-benzimidazol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]-1H-benzimidazol-2-yl]phenyl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;5-[2-[2-[2-hydroxy-5-[5-[2-[3-hydroxy-4-(5-methyl-1H-benzimidazol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenyl]-3H-benzimidazol-5-yl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;5-[2-[3-hydroxy-4-[5-[2-(2-hydroxy-4-methylphenyl)-3H-indol-5-yl]-1H-benzimidazol-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;5-[2-[4-[4-[5-[2-[3-hydroxy-4-[11-(2-hydroxy-4-methylphenyl)-2,4,6,12-tetrazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,11-pentaen-5-yl]phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;5-[2-[4-hydroxy-3-(5-methyl-1H-benzimidazol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;2-[4-[5-[2-[4-hydroxy-3-(6-methyl-3H-indol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
2-[2-[4-[5-[5-[2-[2-[2,5-dihydroxy-4-(5-methyl-1H-benzimidazol-2-yl)phenyl]-3H-indol-6-yl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]-1H-benzimidazol-2-yl]-2,5-dihydroxyphenyl]-3H-indol-6-yl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-[3-[5-[5-(1,3-dioxo-2-phenylisoindol-5-yl)-1,3-dioxoisoindol-2-yl]-1H-benzimidazol-2-yl]-4-hydroxyphenyl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-[4-hydroxy-3-[5-[5-[2-[4-hydroxy-3-(5-methyl-1H-benzimidazol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]-1H-benzimidazol-2-yl]phenyl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;5-[2-[2-[2-hydroxy-5-[5-[2-[3-hydroxy-4-(5-methyl-1H-benzimidazol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenyl]-3H-benzimidazol-5-yl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;5-[2-[3-hydroxy-4-[5-[2-(2-hydroxy-4-methylphenyl)-3H-indol-5-yl]-1H-benzimidazol-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;5-[2-[4-[4-[5-[2-[3-hydroxy-4-[11-(2-hydroxy-4-methylphenyl)-2,4,6,12-tetrazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,11-pentaen-5-yl]phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;5-[2-[4-hydroxy-3-(5-methyl-1H-benzimidazol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;2-[4-[5-[2-[4-hydroxy-3-(6-methyl-3H-indol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone has a molecular weight of 7182.84 g/mol, XLogP of 59.29, 48 rotatable bonds, 26 hydrogen bond donors, and 95 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[5-[5-[2-[2-[2,5-dihydroxy-4-(5-methyl-1H-benzimidazol-2-yl)phenyl]-3H-indol-6-yl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]-1H-benzimidazol-2-yl]-2,5-dihydroxyphenyl]-3H-indol-6-yl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-[3-[5-[5-(1,3-dioxo-2-phenylisoindol-5-yl)-1,3-dioxoisoindol-2-yl]-1H-benzimidazol-2-yl]-4-hydroxyphenyl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-[4-hydroxy-3-[5-[5-[2-[4-hydroxy-3-(5-methyl-1H-benzimidazol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]-1H-benzimidazol-2-yl]phenyl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;5-[2-[2-[2-hydroxy-5-[5-[2-[3-hydroxy-4-(5-methyl-1H-benzimidazol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenyl]-3H-benzimidazol-5-yl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;5-[2-[3-hydroxy-4-[5-[2-(2-hydroxy-4-methylphenyl)-3H-indol-5-yl]-1H-benzimidazol-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;5-[2-[4-[4-[5-[2-[3-hydroxy-4-[11-(2-hydroxy-4-methylphenyl)-2,4,6,12-tetrazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,11-pentaen-5-yl]phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;5-[2-[4-hydroxy-3-(5-methyl-1H-benzimidazol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;2-[4-[5-[2-[4-hydroxy-3-(6-methyl-3H-indol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone is sourced from PubChem (CID 159168431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).