4-(1,3-dioxoisoindol-5-yl)-2-[4-[5-[2-[3-hydroxy-4-(6-methyl-3H-indol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenyl]isoindole-1,3-dione;4-[2-[4-[5-[5-(1,3-dioxo-2-phenylisoindol-5-yl)-1,3-dioxoisoindol-2-yl]-1H-benzimidazol-2-yl]-3-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione

C105H57N11O18 — CID 160912118

IUPAC4-(1,3-dioxoisoindol-5-yl)-2-[4-[5-[2-[3-hydroxy-4-(6-methyl-3H-indol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenyl]isoindole-1,3-dione;4-[2-[4-[5-[5-(1,3-dioxo-2-phenylisoindol-5-yl)-1,3-dioxoisoindol-2-yl]-1H-benzimidazol-2-yl]-3-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione
SMILESCN1C(=O)c2cccc(-c3ccc4c(c3)C(=O)N(c3ccc(-c5nc6cc(N7C(=O)c8ccc(-c9ccc%10c(c9)C(=O)N(c9ccccc9)C%10=O)cc8C7=O)ccc6[nH]5)c(O)c3)C4=O)c2C1=O.Cc1ccc2c(c1)N=C(c1ccc(N3C(=O)c4ccc(-c5ccc6c(c5)C(=O)N(c5ccc(N7C(=O)c8cccc(-c9ccc%10c(c9)C(=O)NC%10=O)c8C7=O)cc5)C6=O)cc4C3=O)cc1O)C2
InChIInChI=1S/C53H29N5O9.C52H28N6O9/c1-25-5-6-29-23-43(54-42(29)19-25)37-18-14-32(24-44(37)59)58-49(63)36-17-8-27(21-41(36)52(58)66)26-7-16-35-40(20-26)51(65)56(48(35)62)30-10-12-31(13-11-30)57-50(64)38-4-2-3-33(45(38)53(57)67)28-9-15-34-39(22-28)47(61)55-46(34)60;1-55-45(60)36-9-5-8-31(43(36)52(55)67)27-12-17-34-39(22-27)51(66)58(48(34)63)30-13-18-35(42(59)24-30)44-53-40-19-14-29(23-41(40)54-44)57-47(62)33-16-11-26(21-38(33)50(57)65)25-10-15-32-37(20-25)49(64)56(46(32)61)28-6-3-2-4-7-28/h2-22,24,59H,23H2,1H3,(H,55,60,61);2-24,59H,1H3,(H,53,54)
InChIKeySQXRGTLJRVJODV-UHFFFAOYSA-N
MW1760.67 g/mol
LogP15.89
Rot. Bonds12

About 4-(1,3-dioxoisoindol-5-yl)-2-[4-[5-[2-[3-hydroxy-4-(6-methyl-3H-indol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenyl]isoindole-1,3-dione;4-[2-[4-[5-[5-(1,3-dioxo-2-phenylisoindol-5-yl)-1,3-dioxoisoindol-2-yl]-1H-benzimidazol-2-yl]-3-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione

4-(1,3-dioxoisoindol-5-yl)-2-[4-[5-[2-[3-hydroxy-4-(6-methyl-3H-indol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenyl]isoindole-1,3-dione;4-[2-[4-[5-[5-(1,3-dioxo-2-phenylisoindol-5-yl)-1,3-dioxoisoindol-2-yl]-1H-benzimidazol-2-yl]-3-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione (PubChem CID 160912118) has the molecular formula C105H57N11O18 and a molecular weight of 1760.67 g/mol. Its IUPAC name is 4-(1,3-dioxoisoindol-5-yl)-2-[4-[5-[2-[3-hydroxy-4-(6-methyl-3H-indol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenyl]isoindole-1,3-dione;4-[2-[4-[5-[5-(1,3-dioxo-2-phenylisoindol-5-yl)-1,3-dioxoisoindol-2-yl]-1H-benzimidazol-2-yl]-3-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione.

Molecular Properties

Compound Name4-(1,3-dioxoisoindol-5-yl)-2-[4-[5-[2-[3-hydroxy-4-(6-methyl-3H-indol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenyl]isoindole-1,3-dione;4-[2-[4-[5-[5-(1,3-dioxo-2-phenylisoindol-5-yl)-1,3-dioxoisoindol-2-yl]-1H-benzimidazol-2-yl]-3-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione
PubChem CID160912118
Molecular FormulaC105H57N11O18
Molecular Weight1760.67 g/mol
Exact Mass1759.39
IUPAC Name4-(1,3-dioxoisoindol-5-yl)-2-[4-[5-[2-[3-hydroxy-4-(6-methyl-3H-indol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenyl]isoindole-1,3-dione;4-[2-[4-[5-[5-(1,3-dioxo-2-phenylisoindol-5-yl)-1,3-dioxoisoindol-2-yl]-1H-benzimidazol-2-yl]-3-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione
SMILESCN1C(=O)c2cccc(-c3ccc4c(c3)C(=O)N(c3ccc(-c5nc6cc(N7C(=O)c8ccc(-c9ccc%10c(c9)C(=O)N(c9ccccc9)C%10=O)cc8C7=O)ccc6[nH]5)c(O)c3)C4=O)c2C1=O.Cc1ccc2c(c1)N=C(c1ccc(N3C(=O)c4ccc(-c5ccc6c(c5)C(=O)N(c5ccc(N7C(=O)c8cccc(-c9ccc%10c(c9)C(=O)NC%10=O)c8C7=O)cc5)C6=O)cc4C3=O)cc1O)C2
InChIInChI=1S/C53H29N5O9.C52H28N6O9/c1-25-5-6-29-23-43(54-42(29)19-25)37-18-14-32(24-44(37)59)58-49(63)36-17-8-27(21-41(36)52(58)66)26-7-16-35-40(20-26)51(65)56(48(35)62)30-10-12-31(13-11-30)57-50(64)38-4-2-3-33(45(38)53(57)67)28-9-15-34-39(22-28)47(61)55-46(34)60;1-55-45(60)36-9-5-8-31(43(36)52(55)67)27-12-17-34-39(22-27)51(66)58(48(34)63)30-13-18-35(42(59)24-30)44-53-40-19-14-29(23-41(40)54-44)57-47(62)33-16-11-26(21-38(33)50(57)65)25-10-15-32-37(20-25)49(64)56(46(32)61)28-6-3-2-4-7-28/h2-22,24,59H,23H2,1H3,(H,55,60,61);2-24,59H,1H3,(H,53,54)
InChIKeySQXRGTLJRVJODV-UHFFFAOYSA-N
XLogP15.89
TPSA389.33 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds12
Heavy Atoms134
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001760.67
LogP ≤ 515.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 4-(1,3-dioxoisoindol-5-yl)-2-[4-[5-[2-[3-hydroxy-4-(6-methyl-3H-indol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenyl]isoindole-1,3-dione;4-[2-[4-[5-[5-(1,3-dioxo-2-phenylisoindol-5-yl)-1,3-dioxoisoindol-2-yl]-1H-benzimidazol-2-yl]-3-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dioxoisoindol-5-yl)-2-[4-[5-[2-[3-hydroxy-4-(6-methyl-3H-indol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenyl]isoindole-1,3-dione;4-[2-[4-[5-[5-(1,3-dioxo-2-phenylisoindol-5-yl)-1,3-dioxoisoindol-2-yl]-1H-benzimidazol-2-yl]-3-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione?
The IUPAC name of 4-(1,3-dioxoisoindol-5-yl)-2-[4-[5-[2-[3-hydroxy-4-(6-methyl-3H-indol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenyl]isoindole-1,3-dione;4-[2-[4-[5-[5-(1,3-dioxo-2-phenylisoindol-5-yl)-1,3-dioxoisoindol-2-yl]-1H-benzimidazol-2-yl]-3-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione (CID 160912118) is 4-(1,3-dioxoisoindol-5-yl)-2-[4-[5-[2-[3-hydroxy-4-(6-methyl-3H-indol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenyl]isoindole-1,3-dione;4-[2-[4-[5-[5-(1,3-dioxo-2-phenylisoindol-5-yl)-1,3-dioxoisoindol-2-yl]-1H-benzimidazol-2-yl]-3-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione.
What is the SMILES notation for 4-(1,3-dioxoisoindol-5-yl)-2-[4-[5-[2-[3-hydroxy-4-(6-methyl-3H-indol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenyl]isoindole-1,3-dione;4-[2-[4-[5-[5-(1,3-dioxo-2-phenylisoindol-5-yl)-1,3-dioxoisoindol-2-yl]-1H-benzimidazol-2-yl]-3-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione?
The canonical SMILES for 4-(1,3-dioxoisoindol-5-yl)-2-[4-[5-[2-[3-hydroxy-4-(6-methyl-3H-indol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenyl]isoindole-1,3-dione;4-[2-[4-[5-[5-(1,3-dioxo-2-phenylisoindol-5-yl)-1,3-dioxoisoindol-2-yl]-1H-benzimidazol-2-yl]-3-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione is CN1C(=O)c2cccc(-c3ccc4c(c3)C(=O)N(c3ccc(-c5nc6cc(N7C(=O)c8ccc(-c9ccc%10c(c9)C(=O)N(c9ccccc9)C%10=O)cc8C7=O)ccc6[nH]5)c(O)c3)C4=O)c2C1=O.Cc1ccc2c(c1)N=C(c1ccc(N3C(=O)c4ccc(-c5ccc6c(c5)C(=O)N(c5ccc(N7C(=O)c8cccc(-c9ccc%10c(c9)C(=O)NC%10=O)c8C7=O)cc5)C6=O)cc4C3=O)cc1O)C2.
What is the InChIKey of 4-(1,3-dioxoisoindol-5-yl)-2-[4-[5-[2-[3-hydroxy-4-(6-methyl-3H-indol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenyl]isoindole-1,3-dione;4-[2-[4-[5-[5-(1,3-dioxo-2-phenylisoindol-5-yl)-1,3-dioxoisoindol-2-yl]-1H-benzimidazol-2-yl]-3-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione?
The InChIKey is SQXRGTLJRVJODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H29N5O9.C52H28N6O9/c1-25-5-6-29-23-43(54-42(29)19-25)37-18-14-32(24-44(37)59)58-49(63)36-17-8-27(21-41(36)52(58)66)26-7-16-35-40(20-26)51(65)56(48(35)62)30-10-12-31(13-11-30)57-50(64)38-4-2-3-33(45(38)53(57)67)28-9-15-34-39(22-28)47(61)55-46(34)60;1-55-45(60)36-9-5-8-31(43(36)52(55)67)27-12-17-34-39(22-27)51(66)58(48(34)63)30-13-18-35(42(59)24-30)44-53-40-19-14-29(23-41(40)54-44)57-47(62)33-16-11-26(21-38(33)50(57)65)25-10-15-32-37(20-25)49(64)56(46(32)61)28-6-3-2-4-7-28/h2-22,24,59H,23H2,1H3,(H,55,60,61);2-24,59H,1H3,(H,53,54).
What are the key properties of 4-(1,3-dioxoisoindol-5-yl)-2-[4-[5-[2-[3-hydroxy-4-(6-methyl-3H-indol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenyl]isoindole-1,3-dione;4-[2-[4-[5-[5-(1,3-dioxo-2-phenylisoindol-5-yl)-1,3-dioxoisoindol-2-yl]-1H-benzimidazol-2-yl]-3-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione?
4-(1,3-dioxoisoindol-5-yl)-2-[4-[5-[2-[3-hydroxy-4-(6-methyl-3H-indol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenyl]isoindole-1,3-dione;4-[2-[4-[5-[5-(1,3-dioxo-2-phenylisoindol-5-yl)-1,3-dioxoisoindol-2-yl]-1H-benzimidazol-2-yl]-3-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione has a molecular weight of 1760.67 g/mol, XLogP of 15.89, 12 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dioxoisoindol-5-yl)-2-[4-[5-[2-[3-hydroxy-4-(6-methyl-3H-indol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenyl]isoindole-1,3-dione;4-[2-[4-[5-[5-(1,3-dioxo-2-phenylisoindol-5-yl)-1,3-dioxoisoindol-2-yl]-1H-benzimidazol-2-yl]-3-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione is sourced from PubChem (CID 160912118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).