5-[2-[2-[4-[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

C60H34N8O9 — CID 159728609

IUPAC5-[2-[2-[4-[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
SMILESCc1ccc2[nH]c(-c3ccc(N4C(=O)c5ccc(-c6ccc7c(c6)C(=O)N(c6ccc(-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)cc6)C7=O)cc5C4=O)cc3O)nc2c1
InChIInChI=1S/C60H34N8O9/c1-28-3-19-46-48(21-28)64-52(62-46)41-18-12-36(27-50(41)69)68-57(74)40-17-9-33(25-45(40)60(68)77)32-7-15-38-43(23-32)58(75)66(55(38)72)34-10-4-29(5-11-34)51-61-47-20-13-35(26-49(47)63-51)67-56(73)39-16-8-31(24-44(39)59(67)76)30-6-14-37-42(22-30)54(71)65(2)53(37)70/h3-27,69H,1-2H3,(H,61,63)(H,62,64)
InChIKeyNAYKCTFDIICFAC-UHFFFAOYSA-N
MW1010.98 g/mol
LogP9.75
Rot. Bonds7

About 5-[2-[2-[4-[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-[2-[4-[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 (PubChem CID 159728609) has the molecular formula C60H34N8O9 and a molecular weight of 1010.98 g/mol. Its IUPAC name is 5-[2-[2-[4-[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.

Molecular Properties

Compound Name5-[2-[2-[4-[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
PubChem CID159728609
Molecular FormulaC60H34N8O9
Molecular Weight1010.98 g/mol
Exact Mass1010.24
IUPAC Name5-[2-[2-[4-[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
SMILESCc1ccc2[nH]c(-c3ccc(N4C(=O)c5ccc(-c6ccc7c(c6)C(=O)N(c6ccc(-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)cc6)C7=O)cc5C4=O)cc3O)nc2c1
InChIInChI=1S/C60H34N8O9/c1-28-3-19-46-48(21-28)64-52(62-46)41-18-12-36(27-50(41)69)68-57(74)40-17-9-33(25-45(40)60(68)77)32-7-15-38-43(23-32)58(75)66(55(38)72)34-10-4-29(5-11-34)51-61-47-20-13-35(26-49(47)63-51)67-56(73)39-16-8-31(24-44(39)59(67)76)30-6-14-37-42(22-30)54(71)65(2)53(37)70/h3-27,69H,1-2H3,(H,61,63)(H,62,64)
InChIKeyNAYKCTFDIICFAC-UHFFFAOYSA-N
XLogP9.75
TPSA227.11 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms77
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001010.98
LogP ≤ 59.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 5-[2-[2-[4-[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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-[4-[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?
The IUPAC name of 5-[2-[2-[4-[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 (CID 159728609) is 5-[2-[2-[4-[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.
What is the SMILES notation for 5-[2-[2-[4-[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?
The canonical SMILES for 5-[2-[2-[4-[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 is Cc1ccc2[nH]c(-c3ccc(N4C(=O)c5ccc(-c6ccc7c(c6)C(=O)N(c6ccc(-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)cc6)C7=O)cc5C4=O)cc3O)nc2c1.
What is the InChIKey of 5-[2-[2-[4-[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?
The InChIKey is NAYKCTFDIICFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H34N8O9/c1-28-3-19-46-48(21-28)64-52(62-46)41-18-12-36(27-50(41)69)68-57(74)40-17-9-33(25-45(40)60(68)77)32-7-15-38-43(23-32)58(75)66(55(38)72)34-10-4-29(5-11-34)51-61-47-20-13-35(26-49(47)63-51)67-56(73)39-16-8-31(24-44(39)59(67)76)30-6-14-37-42(22-30)54(71)65(2)53(37)70/h3-27,69H,1-2H3,(H,61,63)(H,62,64).
What are the key properties of 5-[2-[2-[4-[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-[2-[4-[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 has a molecular weight of 1010.98 g/mol, XLogP of 9.75, 7 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-[4-[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 is sourced from PubChem (CID 159728609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).