5-(4-methylphenyl)-2-[2,3,5-trimethyl-4-[2,3,5-trimethyl-4-[5-(4-methylphenyl)-1,3-dioxoisoindol-2-yl]phenyl]phenyl]isoindole-1,3-dione

C48H40N2O4 — CID 162769432

IUPAC5-(4-methylphenyl)-2-[2,3,5-trimethyl-4-[2,3,5-trimethyl-4-[5-(4-methylphenyl)-1,3-dioxoisoindol-2-yl]phenyl]phenyl]isoindole-1,3-dione
SMILESCc1ccc(-c2ccc3c(c2)C(=O)N(c2cc(C)c(-c4cc(C)c(N5C(=O)c6ccc(-c7ccc(C)cc7)cc6C5=O)c(C)c4C)c(C)c2C)C3=O)cc1
InChIInChI=1S/C48H40N2O4/c1-25-9-13-33(14-10-25)35-17-19-37-40(23-35)47(53)49(45(37)51)42-22-27(3)43(31(7)30(42)6)39-21-28(4)44(32(8)29(39)5)50-46(52)38-20-18-36(24-41(38)48(50)54)34-15-11-26(2)12-16-34/h9-24H,1-8H3
InChIKeyCPYRRYMNGFOMAH-UHFFFAOYSA-N
MW708.86 g/mol
LogP10.76
Rot. Bonds5

About 5-(4-methylphenyl)-2-[2,3,5-trimethyl-4-[2,3,5-trimethyl-4-[5-(4-methylphenyl)-1,3-dioxoisoindol-2-yl]phenyl]phenyl]isoindole-1,3-dione

5-(4-methylphenyl)-2-[2,3,5-trimethyl-4-[2,3,5-trimethyl-4-[5-(4-methylphenyl)-1,3-dioxoisoindol-2-yl]phenyl]phenyl]isoindole-1,3-dione (PubChem CID 162769432) has the molecular formula C48H40N2O4 and a molecular weight of 708.86 g/mol. Its IUPAC name is 5-(4-methylphenyl)-2-[2,3,5-trimethyl-4-[2,3,5-trimethyl-4-[5-(4-methylphenyl)-1,3-dioxoisoindol-2-yl]phenyl]phenyl]isoindole-1,3-dione.

Molecular Properties

Compound Name5-(4-methylphenyl)-2-[2,3,5-trimethyl-4-[2,3,5-trimethyl-4-[5-(4-methylphenyl)-1,3-dioxoisoindol-2-yl]phenyl]phenyl]isoindole-1,3-dione
PubChem CID162769432
Molecular FormulaC48H40N2O4
Molecular Weight708.86 g/mol
Exact Mass708.30
IUPAC Name5-(4-methylphenyl)-2-[2,3,5-trimethyl-4-[2,3,5-trimethyl-4-[5-(4-methylphenyl)-1,3-dioxoisoindol-2-yl]phenyl]phenyl]isoindole-1,3-dione
SMILESCc1ccc(-c2ccc3c(c2)C(=O)N(c2cc(C)c(-c4cc(C)c(N5C(=O)c6ccc(-c7ccc(C)cc7)cc6C5=O)c(C)c4C)c(C)c2C)C3=O)cc1
InChIInChI=1S/C48H40N2O4/c1-25-9-13-33(14-10-25)35-17-19-37-40(23-35)47(53)49(45(37)51)42-22-27(3)43(31(7)30(42)6)39-21-28(4)44(32(8)29(39)5)50-46(52)38-20-18-36(24-41(38)48(50)54)34-15-11-26(2)12-16-34/h9-24H,1-8H3
InChIKeyCPYRRYMNGFOMAH-UHFFFAOYSA-N
XLogP10.76
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500708.86
LogP ≤ 510.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(4-methylphenyl)-2-[2,3,5-trimethyl-4-[2,3,5-trimethyl-4-[5-(4-methylphenyl)-1,3-dioxoisoindol-2-yl]phenyl]phenyl]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

Related Compounds

2-[4-[2,5-dimethyl-4-[5-(4-methylphenyl)-1,3-dioxoisoindol-2-yl]phenyl]-2,3-dimethylphenyl]-5-(4-methylphenyl)isoindole-1,3-dione
CID 162769330
5-(4-methylphenyl)-2-[4-[5-(4-methylphenyl)-1,3-dioxoisoindol-2-yl]-2,3-di(propan-2-yl)phenyl]isoindole-1,3-dione
CID 162769427
2-[2,3-dimethoxy-4-[5-(4-methylphenyl)-1,3-dioxoisoindol-2-yl]phenyl]-5-(4-methylphenyl)isoindole-1,3-dione
CID 162769383
2-[4-[2,3-ditert-butyl-4-[4-[5-(4-methylphenyl)-1,3-dioxoisoindol-2-yl]phenyl]phenyl]phenyl]-5-(4-methylphenyl)isoindole-1,3-dione
CID 162769294
6,13-bis(2,4,6-trimethylphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
CID 45253896
2-[4-[4-(5-carboxy-1,3-dioxoisoindol-2-yl)-3-methylphenyl]-2-methylphenyl]-1,3-dioxoisoindole-5-carboxylic acid
CID 102007666
5-(4-aminophenyl)-2-[2-[2-[5-(4-aminophenyl)-1,3-dioxoisoindol-2-yl]phenyl]phenyl]isoindole-1,3-dione
CID 171043216
5-bromo-2-(4-bromo-2,6-dimethylphenyl)isoindole-1,3-dione
CID 60976544
5-hydroxy-2-(4-hydroxy-2,6-dimethylphenyl)isoindole-1,3-dione
CID 19793988
6,13-bis(2,5-dimethylphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
CID 1035548
2-[4-[4-[5-(4-aminophenyl)-1,3-dioxoisoindol-2-yl]-3,5-diphenoxyphenyl]phenyl]-5-(4-methylphenyl)isoindole-1,3-dione
CID 162769468
5-[2-(1,3-dioxoisoindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-(2,3,4,6-tetramethylphenyl)isoindole-1,3-dione
CID 122608324

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-2-[2,3,5-trimethyl-4-[2,3,5-trimethyl-4-[5-(4-methylphenyl)-1,3-dioxoisoindol-2-yl]phenyl]phenyl]isoindole-1,3-dione?
The IUPAC name of 5-(4-methylphenyl)-2-[2,3,5-trimethyl-4-[2,3,5-trimethyl-4-[5-(4-methylphenyl)-1,3-dioxoisoindol-2-yl]phenyl]phenyl]isoindole-1,3-dione (CID 162769432) is 5-(4-methylphenyl)-2-[2,3,5-trimethyl-4-[2,3,5-trimethyl-4-[5-(4-methylphenyl)-1,3-dioxoisoindol-2-yl]phenyl]phenyl]isoindole-1,3-dione.
What is the SMILES notation for 5-(4-methylphenyl)-2-[2,3,5-trimethyl-4-[2,3,5-trimethyl-4-[5-(4-methylphenyl)-1,3-dioxoisoindol-2-yl]phenyl]phenyl]isoindole-1,3-dione?
The canonical SMILES for 5-(4-methylphenyl)-2-[2,3,5-trimethyl-4-[2,3,5-trimethyl-4-[5-(4-methylphenyl)-1,3-dioxoisoindol-2-yl]phenyl]phenyl]isoindole-1,3-dione is Cc1ccc(-c2ccc3c(c2)C(=O)N(c2cc(C)c(-c4cc(C)c(N5C(=O)c6ccc(-c7ccc(C)cc7)cc6C5=O)c(C)c4C)c(C)c2C)C3=O)cc1.
What is the InChIKey of 5-(4-methylphenyl)-2-[2,3,5-trimethyl-4-[2,3,5-trimethyl-4-[5-(4-methylphenyl)-1,3-dioxoisoindol-2-yl]phenyl]phenyl]isoindole-1,3-dione?
The InChIKey is CPYRRYMNGFOMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H40N2O4/c1-25-9-13-33(14-10-25)35-17-19-37-40(23-35)47(53)49(45(37)51)42-22-27(3)43(31(7)30(42)6)39-21-28(4)44(32(8)29(39)5)50-46(52)38-20-18-36(24-41(38)48(50)54)34-15-11-26(2)12-16-34/h9-24H,1-8H3.
What are the key properties of 5-(4-methylphenyl)-2-[2,3,5-trimethyl-4-[2,3,5-trimethyl-4-[5-(4-methylphenyl)-1,3-dioxoisoindol-2-yl]phenyl]phenyl]isoindole-1,3-dione?
5-(4-methylphenyl)-2-[2,3,5-trimethyl-4-[2,3,5-trimethyl-4-[5-(4-methylphenyl)-1,3-dioxoisoindol-2-yl]phenyl]phenyl]isoindole-1,3-dione has a molecular weight of 708.86 g/mol, XLogP of 10.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-2-[2,3,5-trimethyl-4-[2,3,5-trimethyl-4-[5-(4-methylphenyl)-1,3-dioxoisoindol-2-yl]phenyl]phenyl]isoindole-1,3-dione is sourced from PubChem (CID 162769432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).