2-(2-methylphenyl)-5-[2-(2-methylphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione

C31H20N2O5 — CID 1039704

IUPAC2-(2-methylphenyl)-5-[2-(2-methylphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione
SMILESCc1ccccc1N1C(=O)c2ccc(C(=O)c3ccc4c(c3)C(=O)N(c3ccccc3C)C4=O)cc2C1=O
InChIInChI=1S/C31H20N2O5/c1-17-7-3-5-9-25(17)32-28(35)21-13-11-19(15-23(21)30(32)37)27(34)20-12-14-22-24(16-20)31(38)33(29(22)36)26-10-6-4-8-18(26)2/h3-16H,1-2H3
InChIKeyMRBKJQSAGGOQQQ-UHFFFAOYSA-N
MW500.51 g/mol
LogP5.14
Rot. Bonds4

About 2-(2-methylphenyl)-5-[2-(2-methylphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione

2-(2-methylphenyl)-5-[2-(2-methylphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione (PubChem CID 1039704) has the molecular formula C31H20N2O5 and a molecular weight of 500.51 g/mol. Its IUPAC name is 2-(2-methylphenyl)-5-[2-(2-methylphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2-methylphenyl)-5-[2-(2-methylphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione
PubChem CID1039704
Molecular FormulaC31H20N2O5
Molecular Weight500.51 g/mol
Exact Mass500.14
IUPAC Name2-(2-methylphenyl)-5-[2-(2-methylphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione
SMILESCc1ccccc1N1C(=O)c2ccc(C(=O)c3ccc4c(c3)C(=O)N(c3ccccc3C)C4=O)cc2C1=O
InChIInChI=1S/C31H20N2O5/c1-17-7-3-5-9-25(17)32-28(35)21-13-11-19(15-23(21)30(32)37)27(34)20-12-14-22-24(16-20)31(38)33(29(22)36)26-10-6-4-8-18(26)2/h3-16H,1-2H3
InChIKeyMRBKJQSAGGOQQQ-UHFFFAOYSA-N
XLogP5.14
TPSA91.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.51
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(2-methylphenyl)-5-[2-(2-methylphenyl)-1,3-dioxoisoindole-5-carbonyl]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

2,6-Dimethylphenylphthalimide
CID 73324
1-{[4-({4-[(2,3-dioxo-2,3-dihydro-1H-indol-1-yl)methyl]phenyl}methyl)phenyl]methyl}-2,3-dihydro-1H-indole-2,3-dione
CID 3821945
2-[4-(Dimethylamino)phenyl]-5-methylisoindole-1,3-dione
CID 25270870
2-(2-(2-phenylethyl)phenyl)-2,3-dihydro-1H-isoindole-1,3-dione
CID 10616182
2-[4-[[4-(1,3-Dioxoisoindol-2-yl)phenyl]diselanyl]phenyl]isoindole-1,3-dione
CID 155531138
5-[(4-benzylpiperazin-1-yl)carbonyl]-2-(4-methylphenyl)-1H-isoindole-1,3(2H)-dione
CID 1263068
N-[4-(acetylamino)phenyl]-2-(2-methylphenyl)-1,3-dioxoisoindoline-5-carboxamide
CID 1350777
2,8-bis(2,4-dimethylphenyl)-5-phenyl-3a,4,6,6a,9a,10,10a,10b-octahydro-6,10-ethenoisoindolo[5,6-e]isoindole-1,3,7,9(2H,8H)-tetrone
CID 4206649
2,2'-[carbonylbis(1,3-dioxo-1,3-dihydro-2H-isoindole-5,2-diyl)]dibenzoic acid
CID 3092313
2-(4-Acetylphenyl)-4-Methyl-1h-Isoindole-1,3(2h)-Dione
CID 46840165
2-(2-hexylphenyl)-2,3-dihydro-1H-isoindole-1,3-dione
CID 10638446
5-(4-(2,3-Dimethylphenyl)piperazine-1-carbonyl)-2-(p-tolyl)isoindoline-1,3-dione
CID 991788

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-5-[2-(2-methylphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione?
The IUPAC name of 2-(2-methylphenyl)-5-[2-(2-methylphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione (CID 1039704) is 2-(2-methylphenyl)-5-[2-(2-methylphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione.
What is the SMILES notation for 2-(2-methylphenyl)-5-[2-(2-methylphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione?
The canonical SMILES for 2-(2-methylphenyl)-5-[2-(2-methylphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione is Cc1ccccc1N1C(=O)c2ccc(C(=O)c3ccc4c(c3)C(=O)N(c3ccccc3C)C4=O)cc2C1=O.
What is the InChIKey of 2-(2-methylphenyl)-5-[2-(2-methylphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione?
The InChIKey is MRBKJQSAGGOQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H20N2O5/c1-17-7-3-5-9-25(17)32-28(35)21-13-11-19(15-23(21)30(32)37)27(34)20-12-14-22-24(16-20)31(38)33(29(22)36)26-10-6-4-8-18(26)2/h3-16H,1-2H3.
What are the key properties of 2-(2-methylphenyl)-5-[2-(2-methylphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione?
2-(2-methylphenyl)-5-[2-(2-methylphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione has a molecular weight of 500.51 g/mol, XLogP of 5.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-5-[2-(2-methylphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione is sourced from PubChem (CID 1039704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).