2-methyl-5-[3-methyl-4-[2-methyl-4-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-3,5-diphenylphenyl]-2,6-diphenylphenoxy]isoindole-1,3-dione

C56H40N2O6 — CID 19800393

IUPAC2-methyl-5-[3-methyl-4-[2-methyl-4-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-3,5-diphenylphenyl]-2,6-diphenylphenoxy]isoindole-1,3-dione
SMILESCc1c(-c2cc(-c3ccccc3)c(Oc3ccc4c(c3)C(=O)N(C)C4=O)c(-c3ccccc3)c2C)cc(-c2ccccc2)c(Oc2ccc3c(c2)C(=O)N(C)C3=O)c1-c1ccccc1
InChIInChI=1S/C56H40N2O6/c1-33-43(31-45(35-17-9-5-10-18-35)51(49(33)37-21-13-7-14-22-37)63-39-25-27-41-47(29-39)55(61)57(3)53(41)59)44-32-46(36-19-11-6-12-20-36)52(50(34(44)2)38-23-15-8-16-24-38)64-40-26-28-42-48(30-40)56(62)58(4)54(42)60/h5-32H,1-4H3
InChIKeyLSDNFUAOLSINMB-UHFFFAOYSA-N
MW836.94 g/mol
LogP12.67
Rot. Bonds9

About 2-methyl-5-[3-methyl-4-[2-methyl-4-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-3,5-diphenylphenyl]-2,6-diphenylphenoxy]isoindole-1,3-dione

2-methyl-5-[3-methyl-4-[2-methyl-4-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-3,5-diphenylphenyl]-2,6-diphenylphenoxy]isoindole-1,3-dione (PubChem CID 19800393) has the molecular formula C56H40N2O6 and a molecular weight of 836.94 g/mol. Its IUPAC name is 2-methyl-5-[3-methyl-4-[2-methyl-4-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-3,5-diphenylphenyl]-2,6-diphenylphenoxy]isoindole-1,3-dione.

Molecular Properties

Compound Name2-methyl-5-[3-methyl-4-[2-methyl-4-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-3,5-diphenylphenyl]-2,6-diphenylphenoxy]isoindole-1,3-dione
PubChem CID19800393
Molecular FormulaC56H40N2O6
Molecular Weight836.94 g/mol
Exact Mass836.29
IUPAC Name2-methyl-5-[3-methyl-4-[2-methyl-4-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-3,5-diphenylphenyl]-2,6-diphenylphenoxy]isoindole-1,3-dione
SMILESCc1c(-c2cc(-c3ccccc3)c(Oc3ccc4c(c3)C(=O)N(C)C4=O)c(-c3ccccc3)c2C)cc(-c2ccccc2)c(Oc2ccc3c(c2)C(=O)N(C)C3=O)c1-c1ccccc1
InChIInChI=1S/C56H40N2O6/c1-33-43(31-45(35-17-9-5-10-18-35)51(49(33)37-21-13-7-14-22-37)63-39-25-27-41-47(29-39)55(61)57(3)53(41)59)44-32-46(36-19-11-6-12-20-36)52(50(34(44)2)38-23-15-8-16-24-38)64-40-26-28-42-48(30-40)56(62)58(4)54(42)60/h5-32H,1-4H3
InChIKeyLSDNFUAOLSINMB-UHFFFAOYSA-N
XLogP12.67
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500836.94
LogP ≤ 512.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-methyl-5-[3-methyl-4-[2-methyl-4-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-3,5-diphenylphenyl]-2,6-diphenylphenoxy]isoindole-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 2-methyl-5-[3-methyl-4-[2-methyl-4-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-3,5-diphenylphenyl]-2,6-diphenylphenoxy]isoindole-1,3-dione?
The IUPAC name of 2-methyl-5-[3-methyl-4-[2-methyl-4-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-3,5-diphenylphenyl]-2,6-diphenylphenoxy]isoindole-1,3-dione (CID 19800393) is 2-methyl-5-[3-methyl-4-[2-methyl-4-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-3,5-diphenylphenyl]-2,6-diphenylphenoxy]isoindole-1,3-dione.
What is the SMILES notation for 2-methyl-5-[3-methyl-4-[2-methyl-4-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-3,5-diphenylphenyl]-2,6-diphenylphenoxy]isoindole-1,3-dione?
The canonical SMILES for 2-methyl-5-[3-methyl-4-[2-methyl-4-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-3,5-diphenylphenyl]-2,6-diphenylphenoxy]isoindole-1,3-dione is Cc1c(-c2cc(-c3ccccc3)c(Oc3ccc4c(c3)C(=O)N(C)C4=O)c(-c3ccccc3)c2C)cc(-c2ccccc2)c(Oc2ccc3c(c2)C(=O)N(C)C3=O)c1-c1ccccc1.
What is the InChIKey of 2-methyl-5-[3-methyl-4-[2-methyl-4-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-3,5-diphenylphenyl]-2,6-diphenylphenoxy]isoindole-1,3-dione?
The InChIKey is LSDNFUAOLSINMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H40N2O6/c1-33-43(31-45(35-17-9-5-10-18-35)51(49(33)37-21-13-7-14-22-37)63-39-25-27-41-47(29-39)55(61)57(3)53(41)59)44-32-46(36-19-11-6-12-20-36)52(50(34(44)2)38-23-15-8-16-24-38)64-40-26-28-42-48(30-40)56(62)58(4)54(42)60/h5-32H,1-4H3.
What are the key properties of 2-methyl-5-[3-methyl-4-[2-methyl-4-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-3,5-diphenylphenyl]-2,6-diphenylphenoxy]isoindole-1,3-dione?
2-methyl-5-[3-methyl-4-[2-methyl-4-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-3,5-diphenylphenyl]-2,6-diphenylphenoxy]isoindole-1,3-dione has a molecular weight of 836.94 g/mol, XLogP of 12.67, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[3-methyl-4-[2-methyl-4-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-3,5-diphenylphenyl]-2,6-diphenylphenoxy]isoindole-1,3-dione is sourced from PubChem (CID 19800393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).