2-[4-[4-[5-(2-methyl-1,3-dioxoisoindole-5-carbonyl)-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-6-[4-(4-methylphenoxy)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-methyl-5-[2-[4-[3-[5-[2-[3-[3-(3-methylphenoxy)phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione;2-methyl-5-[2-[4-[3-[4-[5-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindole-5-carbonyl]-1,3-dioxoisoindol-2-yl]phenoxy]phenoxy]phenyl]-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione;2-methyl-5-[2-[4-[3-[5-[2-(4-methylphenyl)-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione

C235H136N16O46 — CID 162121402

IUPAC2-[4-[4-[5-(2-methyl-1,3-dioxoisoindole-5-carbonyl)-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-6-[4-(4-methylphenoxy)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-methyl-5-[2-[4-[3-[5-[2-[3-[3-(3-methylphenoxy)phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione;2-methyl-5-[2-[4-[3-[4-[5-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindole-5-carbonyl]-1,3-dioxoisoindol-2-yl]phenoxy]phenoxy]phenyl]-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione;2-methyl-5-[2-[4-[3-[5-[2-(4-methylphenyl)-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione
SMILESCc1ccc(N2C(=O)c3ccc(Oc4ccc5c(c4)C(=O)N(c4cccc(Oc6ccc(N7C(=O)c8ccc(Oc9ccc%10c(c9)C(=O)N(C)C%10=O)cc8C7=O)cc6)c4)C5=O)cc3C2=O)cc1.Cc1ccc(Oc2ccc(-n3c(=O)c4cc5c(=O)n(-c6ccc(Oc7ccc(N8C(=O)c9ccc(C(=O)c%10ccc%11c(c%10)C(=O)N(C)C%11=O)cc9C8=O)cc7)cc6)c(=O)c5cc4c3=O)cc2)cc1.Cc1ccc(Oc2ccc(N3C(=O)c4ccc(C(=O)c5ccc6c(c5)C(=O)N(c5ccc(Oc7cccc(Oc8ccc(N9C(=O)c%10ccc(C(=O)c%11ccc%12c(c%11)C(=O)N(C)C%12=O)cc%10C9=O)cc8)c7)cc5)C6=O)cc4C3=O)cc2)cc1.Cc1cccc(Oc2cccc(Oc3cccc(N4C(=O)c5ccc(-c6ccc7c(c6)C(=O)N(c6cccc(Oc8ccc(N9C(=O)c%10ccc(-c%11ccc%12c(c%11)C(=O)N(C)C%12=O)cc%10C9=O)cc8)c6)C7=O)cc5C4=O)c3)c2)c1
InChIInChI=1S/C66H38N4O13.C64H38N4O11.C53H30N4O11.C52H30N4O11/c1-35-6-18-43(19-7-35)81-44-20-12-40(13-21-44)68-61(75)51-28-10-38(32-55(51)64(68)78)58(72)39-11-29-52-56(33-39)66(80)70(63(52)77)42-16-24-46(25-17-42)83-48-5-3-4-47(34-48)82-45-22-14-41(15-23-45)69-62(76)50-27-9-37(31-54(50)65(69)79)57(71)36-8-26-49-53(30-36)60(74)67(2)59(49)73;1-35-7-3-10-44(27-35)78-47-13-6-14-48(34-47)79-46-12-5-9-42(33-46)68-61(73)52-26-18-39(31-56(52)64(68)76)38-17-25-51-55(30-38)63(75)67(60(51)72)41-8-4-11-45(32-41)77-43-21-19-40(20-22-43)66-59(71)50-24-16-37(29-54(50)62(66)74)36-15-23-49-53(28-36)58(70)65(2)57(49)69;1-27-3-13-33(14-4-27)67-34-17-9-31(10-18-34)56-50(63)41-25-43-44(26-42(41)51(56)64)53(66)57(52(43)65)32-11-19-36(20-12-32)68-35-15-7-30(8-16-35)55-48(61)38-22-6-29(24-40(38)49(55)62)45(58)28-5-21-37-39(23-28)47(60)54(2)46(37)59;1-27-6-8-28(9-7-27)54-47(59)38-19-16-35(25-42(38)50(54)62)67-36-17-21-40-44(26-36)52(64)56(49(40)61)30-4-3-5-32(22-30)65-31-12-10-29(11-13-31)55-48(60)39-20-15-34(24-43(39)51(55)63)66-33-14-18-37-41(23-33)46(58)53(2)45(37)57/h3-34H,1-2H3;3-34H,1-2H3;3-26H,1-2H3;3-26H,1-2H3
InChIKeyZHLMTGGUYPFUGS-UHFFFAOYSA-N
MW3919.74 g/mol
LogP39.84
Rot. Bonds42

About 2-[4-[4-[5-(2-methyl-1,3-dioxoisoindole-5-carbonyl)-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-6-[4-(4-methylphenoxy)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-methyl-5-[2-[4-[3-[5-[2-[3-[3-(3-methylphenoxy)phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione;2-methyl-5-[2-[4-[3-[4-[5-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindole-5-carbonyl]-1,3-dioxoisoindol-2-yl]phenoxy]phenoxy]phenyl]-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione;2-methyl-5-[2-[4-[3-[5-[2-(4-methylphenyl)-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione

2-[4-[4-[5-(2-methyl-1,3-dioxoisoindole-5-carbonyl)-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-6-[4-(4-methylphenoxy)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-methyl-5-[2-[4-[3-[5-[2-[3-[3-(3-methylphenoxy)phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione;2-methyl-5-[2-[4-[3-[4-[5-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindole-5-carbonyl]-1,3-dioxoisoindol-2-yl]phenoxy]phenoxy]phenyl]-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione;2-methyl-5-[2-[4-[3-[5-[2-(4-methylphenyl)-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione (PubChem CID 162121402) has the molecular formula C235H136N16O46 and a molecular weight of 3919.74 g/mol. Its IUPAC name is 2-[4-[4-[5-(2-methyl-1,3-dioxoisoindole-5-carbonyl)-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-6-[4-(4-methylphenoxy)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-methyl-5-[2-[4-[3-[5-[2-[3-[3-(3-methylphenoxy)phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione;2-methyl-5-[2-[4-[3-[4-[5-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindole-5-carbonyl]-1,3-dioxoisoindol-2-yl]phenoxy]phenoxy]phenyl]-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione;2-methyl-5-[2-[4-[3-[5-[2-(4-methylphenyl)-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione.

Molecular Properties

Compound Name2-[4-[4-[5-(2-methyl-1,3-dioxoisoindole-5-carbonyl)-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-6-[4-(4-methylphenoxy)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-methyl-5-[2-[4-[3-[5-[2-[3-[3-(3-methylphenoxy)phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione;2-methyl-5-[2-[4-[3-[4-[5-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindole-5-carbonyl]-1,3-dioxoisoindol-2-yl]phenoxy]phenoxy]phenyl]-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione;2-methyl-5-[2-[4-[3-[5-[2-(4-methylphenyl)-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione
PubChem CID162121402
Molecular FormulaC235H136N16O46
Molecular Weight3919.74 g/mol
Exact Mass3916.88
IUPAC Name2-[4-[4-[5-(2-methyl-1,3-dioxoisoindole-5-carbonyl)-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-6-[4-(4-methylphenoxy)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-methyl-5-[2-[4-[3-[5-[2-[3-[3-(3-methylphenoxy)phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione;2-methyl-5-[2-[4-[3-[4-[5-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindole-5-carbonyl]-1,3-dioxoisoindol-2-yl]phenoxy]phenoxy]phenyl]-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione;2-methyl-5-[2-[4-[3-[5-[2-(4-methylphenyl)-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione
SMILESCc1ccc(N2C(=O)c3ccc(Oc4ccc5c(c4)C(=O)N(c4cccc(Oc6ccc(N7C(=O)c8ccc(Oc9ccc%10c(c9)C(=O)N(C)C%10=O)cc8C7=O)cc6)c4)C5=O)cc3C2=O)cc1.Cc1ccc(Oc2ccc(-n3c(=O)c4cc5c(=O)n(-c6ccc(Oc7ccc(N8C(=O)c9ccc(C(=O)c%10ccc%11c(c%10)C(=O)N(C)C%11=O)cc9C8=O)cc7)cc6)c(=O)c5cc4c3=O)cc2)cc1.Cc1ccc(Oc2ccc(N3C(=O)c4ccc(C(=O)c5ccc6c(c5)C(=O)N(c5ccc(Oc7cccc(Oc8ccc(N9C(=O)c%10ccc(C(=O)c%11ccc%12c(c%11)C(=O)N(C)C%12=O)cc%10C9=O)cc8)c7)cc5)C6=O)cc4C3=O)cc2)cc1.Cc1cccc(Oc2cccc(Oc3cccc(N4C(=O)c5ccc(-c6ccc7c(c6)C(=O)N(c6cccc(Oc8ccc(N9C(=O)c%10ccc(-c%11ccc%12c(c%11)C(=O)N(C)C%12=O)cc%10C9=O)cc8)c6)C7=O)cc5C4=O)c3)c2)c1
InChIInChI=1S/C66H38N4O13.C64H38N4O11.C53H30N4O11.C52H30N4O11/c1-35-6-18-43(19-7-35)81-44-20-12-40(13-21-44)68-61(75)51-28-10-38(32-55(51)64(68)78)58(72)39-11-29-52-56(33-39)66(80)70(63(52)77)42-16-24-46(25-17-42)83-48-5-3-4-47(34-48)82-45-22-14-41(15-23-45)69-62(76)50-27-9-37(31-54(50)65(69)79)57(71)36-8-26-49-53(30-36)60(74)67(2)59(49)73;1-35-7-3-10-44(27-35)78-47-13-6-14-48(34-47)79-46-12-5-9-42(33-46)68-61(73)52-26-18-39(31-56(52)64(68)76)38-17-25-51-55(30-38)63(75)67(60(51)72)41-8-4-11-45(32-41)77-43-21-19-40(20-22-43)66-59(71)50-24-16-37(29-54(50)62(66)74)36-15-23-49-53(28-36)58(70)65(2)57(49)69;1-27-3-13-33(14-4-27)67-34-17-9-31(10-18-34)56-50(63)41-25-43-44(26-42(41)51(56)64)53(66)57(52(43)65)32-11-19-36(20-12-32)68-35-15-7-30(8-16-35)55-48(61)38-22-6-29(24-40(38)49(55)62)45(58)28-5-21-37-39(23-28)47(60)54(2)46(37)59;1-27-6-8-28(9-7-27)54-47(59)38-19-16-35(25-42(38)50(54)62)67-36-17-21-40-44(26-36)52(64)56(49(40)61)30-4-3-5-32(22-30)65-31-12-10-29(11-13-31)55-48(60)39-20-15-34(24-43(39)51(55)63)66-33-14-18-37-41(23-33)46(58)53(2)45(37)57/h3-34H,1-2H3;3-34H,1-2H3;3-26H,1-2H3;3-26H,1-2H3
InChIKeyZHLMTGGUYPFUGS-UHFFFAOYSA-N
XLogP39.84
TPSA754.20 Ų
H-Bond Donors
H-Bond Acceptors48
Rotatable Bonds42
Heavy Atoms297
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003919.74
LogP ≤ 539.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1048

Analyze 2-[4-[4-[5-(2-methyl-1,3-dioxoisoindole-5-carbonyl)-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-6-[4-(4-methylphenoxy)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-methyl-5-[2-[4-[3-[5-[2-[3-[3-(3-methylphenoxy)phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione;2-methyl-5-[2-[4-[3-[4-[5-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindole-5-carbonyl]-1,3-dioxoisoindol-2-yl]phenoxy]phenoxy]phenyl]-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione;2-methyl-5-[2-[4-[3-[5-[2-(4-methylphenyl)-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[5-(2-methyl-1,3-dioxoisoindole-5-carbonyl)-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-6-[4-(4-methylphenoxy)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-methyl-5-[2-[4-[3-[5-[2-[3-[3-(3-methylphenoxy)phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione;2-methyl-5-[2-[4-[3-[4-[5-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindole-5-carbonyl]-1,3-dioxoisoindol-2-yl]phenoxy]phenoxy]phenyl]-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione;2-methyl-5-[2-[4-[3-[5-[2-(4-methylphenyl)-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione?
The IUPAC name of 2-[4-[4-[5-(2-methyl-1,3-dioxoisoindole-5-carbonyl)-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-6-[4-(4-methylphenoxy)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-methyl-5-[2-[4-[3-[5-[2-[3-[3-(3-methylphenoxy)phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione;2-methyl-5-[2-[4-[3-[4-[5-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindole-5-carbonyl]-1,3-dioxoisoindol-2-yl]phenoxy]phenoxy]phenyl]-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione;2-methyl-5-[2-[4-[3-[5-[2-(4-methylphenyl)-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione (CID 162121402) is 2-[4-[4-[5-(2-methyl-1,3-dioxoisoindole-5-carbonyl)-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-6-[4-(4-methylphenoxy)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-methyl-5-[2-[4-[3-[5-[2-[3-[3-(3-methylphenoxy)phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione;2-methyl-5-[2-[4-[3-[4-[5-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindole-5-carbonyl]-1,3-dioxoisoindol-2-yl]phenoxy]phenoxy]phenyl]-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione;2-methyl-5-[2-[4-[3-[5-[2-(4-methylphenyl)-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione.
What is the SMILES notation for 2-[4-[4-[5-(2-methyl-1,3-dioxoisoindole-5-carbonyl)-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-6-[4-(4-methylphenoxy)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-methyl-5-[2-[4-[3-[5-[2-[3-[3-(3-methylphenoxy)phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione;2-methyl-5-[2-[4-[3-[4-[5-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindole-5-carbonyl]-1,3-dioxoisoindol-2-yl]phenoxy]phenoxy]phenyl]-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione;2-methyl-5-[2-[4-[3-[5-[2-(4-methylphenyl)-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione?
The canonical SMILES for 2-[4-[4-[5-(2-methyl-1,3-dioxoisoindole-5-carbonyl)-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-6-[4-(4-methylphenoxy)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-methyl-5-[2-[4-[3-[5-[2-[3-[3-(3-methylphenoxy)phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione;2-methyl-5-[2-[4-[3-[4-[5-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindole-5-carbonyl]-1,3-dioxoisoindol-2-yl]phenoxy]phenoxy]phenyl]-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione;2-methyl-5-[2-[4-[3-[5-[2-(4-methylphenyl)-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione is Cc1ccc(N2C(=O)c3ccc(Oc4ccc5c(c4)C(=O)N(c4cccc(Oc6ccc(N7C(=O)c8ccc(Oc9ccc%10c(c9)C(=O)N(C)C%10=O)cc8C7=O)cc6)c4)C5=O)cc3C2=O)cc1.Cc1ccc(Oc2ccc(-n3c(=O)c4cc5c(=O)n(-c6ccc(Oc7ccc(N8C(=O)c9ccc(C(=O)c%10ccc%11c(c%10)C(=O)N(C)C%11=O)cc9C8=O)cc7)cc6)c(=O)c5cc4c3=O)cc2)cc1.Cc1ccc(Oc2ccc(N3C(=O)c4ccc(C(=O)c5ccc6c(c5)C(=O)N(c5ccc(Oc7cccc(Oc8ccc(N9C(=O)c%10ccc(C(=O)c%11ccc%12c(c%11)C(=O)N(C)C%12=O)cc%10C9=O)cc8)c7)cc5)C6=O)cc4C3=O)cc2)cc1.Cc1cccc(Oc2cccc(Oc3cccc(N4C(=O)c5ccc(-c6ccc7c(c6)C(=O)N(c6cccc(Oc8ccc(N9C(=O)c%10ccc(-c%11ccc%12c(c%11)C(=O)N(C)C%12=O)cc%10C9=O)cc8)c6)C7=O)cc5C4=O)c3)c2)c1.
What is the InChIKey of 2-[4-[4-[5-(2-methyl-1,3-dioxoisoindole-5-carbonyl)-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-6-[4-(4-methylphenoxy)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-methyl-5-[2-[4-[3-[5-[2-[3-[3-(3-methylphenoxy)phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione;2-methyl-5-[2-[4-[3-[4-[5-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindole-5-carbonyl]-1,3-dioxoisoindol-2-yl]phenoxy]phenoxy]phenyl]-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione;2-methyl-5-[2-[4-[3-[5-[2-(4-methylphenyl)-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione?
The InChIKey is ZHLMTGGUYPFUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H38N4O13.C64H38N4O11.C53H30N4O11.C52H30N4O11/c1-35-6-18-43(19-7-35)81-44-20-12-40(13-21-44)68-61(75)51-28-10-38(32-55(51)64(68)78)58(72)39-11-29-52-56(33-39)66(80)70(63(52)77)42-16-24-46(25-17-42)83-48-5-3-4-47(34-48)82-45-22-14-41(15-23-45)69-62(76)50-27-9-37(31-54(50)65(69)79)57(71)36-8-26-49-53(30-36)60(74)67(2)59(49)73;1-35-7-3-10-44(27-35)78-47-13-6-14-48(34-47)79-46-12-5-9-42(33-46)68-61(73)52-26-18-39(31-56(52)64(68)76)38-17-25-51-55(30-38)63(75)67(60(51)72)41-8-4-11-45(32-41)77-43-21-19-40(20-22-43)66-59(71)50-24-16-37(29-54(50)62(66)74)36-15-23-49-53(28-36)58(70)65(2)57(49)69;1-27-3-13-33(14-4-27)67-34-17-9-31(10-18-34)56-50(63)41-25-43-44(26-42(41)51(56)64)53(66)57(52(43)65)32-11-19-36(20-12-32)68-35-15-7-30(8-16-35)55-48(61)38-22-6-29(24-40(38)49(55)62)45(58)28-5-21-37-39(23-28)47(60)54(2)46(37)59;1-27-6-8-28(9-7-27)54-47(59)38-19-16-35(25-42(38)50(54)62)67-36-17-21-40-44(26-36)52(64)56(49(40)61)30-4-3-5-32(22-30)65-31-12-10-29(11-13-31)55-48(60)39-20-15-34(24-43(39)51(55)63)66-33-14-18-37-41(23-33)46(58)53(2)45(37)57/h3-34H,1-2H3;3-34H,1-2H3;3-26H,1-2H3;3-26H,1-2H3.
What are the key properties of 2-[4-[4-[5-(2-methyl-1,3-dioxoisoindole-5-carbonyl)-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-6-[4-(4-methylphenoxy)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-methyl-5-[2-[4-[3-[5-[2-[3-[3-(3-methylphenoxy)phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione;2-methyl-5-[2-[4-[3-[4-[5-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindole-5-carbonyl]-1,3-dioxoisoindol-2-yl]phenoxy]phenoxy]phenyl]-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione;2-methyl-5-[2-[4-[3-[5-[2-(4-methylphenyl)-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione?
2-[4-[4-[5-(2-methyl-1,3-dioxoisoindole-5-carbonyl)-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-6-[4-(4-methylphenoxy)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-methyl-5-[2-[4-[3-[5-[2-[3-[3-(3-methylphenoxy)phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione;2-methyl-5-[2-[4-[3-[4-[5-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindole-5-carbonyl]-1,3-dioxoisoindol-2-yl]phenoxy]phenoxy]phenyl]-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione;2-methyl-5-[2-[4-[3-[5-[2-(4-methylphenyl)-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione has a molecular weight of 3919.74 g/mol, XLogP of 39.84, 42 rotatable bonds, 0 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[5-(2-methyl-1,3-dioxoisoindole-5-carbonyl)-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-6-[4-(4-methylphenoxy)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-methyl-5-[2-[4-[3-[5-[2-[3-[3-(3-methylphenoxy)phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione;2-methyl-5-[2-[4-[3-[4-[5-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindole-5-carbonyl]-1,3-dioxoisoindol-2-yl]phenoxy]phenoxy]phenyl]-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione;2-methyl-5-[2-[4-[3-[5-[2-(4-methylphenyl)-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione is sourced from PubChem (CID 162121402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).