2-(3,4-dimethylphenyl)-5-[2-(3,4-dimethylphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione

C33H24N2O5 — CID 2832507

IUPAC2-(3,4-dimethylphenyl)-5-[2-(3,4-dimethylphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione
SMILESCc1ccc(N2C(=O)c3ccc(C(=O)c4ccc5c(c4)C(=O)N(c4ccc(C)c(C)c4)C5=O)cc3C2=O)cc1C
InChIInChI=1S/C33H24N2O5/c1-17-5-9-23(13-19(17)3)34-30(37)25-11-7-21(15-27(25)32(34)39)29(36)22-8-12-26-28(16-22)33(40)35(31(26)38)24-10-6-18(2)20(4)14-24/h5-16H,1-4H3
InChIKeyMVYGVQMZXQRTFI-UHFFFAOYSA-N
MW528.56 g/mol
LogP5.75
Rot. Bonds4

About 2-(3,4-dimethylphenyl)-5-[2-(3,4-dimethylphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione

2-(3,4-dimethylphenyl)-5-[2-(3,4-dimethylphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione (PubChem CID 2832507) has the molecular formula C33H24N2O5 and a molecular weight of 528.56 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-5-[2-(3,4-dimethylphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-5-[2-(3,4-dimethylphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione
PubChem CID2832507
Molecular FormulaC33H24N2O5
Molecular Weight528.56 g/mol
Exact Mass528.17
IUPAC Name2-(3,4-dimethylphenyl)-5-[2-(3,4-dimethylphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione
SMILESCc1ccc(N2C(=O)c3ccc(C(=O)c4ccc5c(c4)C(=O)N(c4ccc(C)c(C)c4)C5=O)cc3C2=O)cc1C
InChIInChI=1S/C33H24N2O5/c1-17-5-9-23(13-19(17)3)34-30(37)25-11-7-21(15-27(25)32(34)39)29(36)22-8-12-26-28(16-22)33(40)35(31(26)38)24-10-6-18(2)20(4)14-24/h5-16H,1-4H3
InChIKeyMVYGVQMZXQRTFI-UHFFFAOYSA-N
XLogP5.75
TPSA91.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.56
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-5-[2-(3,4-dimethylphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione?
The IUPAC name of 2-(3,4-dimethylphenyl)-5-[2-(3,4-dimethylphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione (CID 2832507) is 2-(3,4-dimethylphenyl)-5-[2-(3,4-dimethylphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-5-[2-(3,4-dimethylphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione?
The canonical SMILES for 2-(3,4-dimethylphenyl)-5-[2-(3,4-dimethylphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione is Cc1ccc(N2C(=O)c3ccc(C(=O)c4ccc5c(c4)C(=O)N(c4ccc(C)c(C)c4)C5=O)cc3C2=O)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)-5-[2-(3,4-dimethylphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione?
The InChIKey is MVYGVQMZXQRTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24N2O5/c1-17-5-9-23(13-19(17)3)34-30(37)25-11-7-21(15-27(25)32(34)39)29(36)22-8-12-26-28(16-22)33(40)35(31(26)38)24-10-6-18(2)20(4)14-24/h5-16H,1-4H3.
What are the key properties of 2-(3,4-dimethylphenyl)-5-[2-(3,4-dimethylphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione?
2-(3,4-dimethylphenyl)-5-[2-(3,4-dimethylphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione has a molecular weight of 528.56 g/mol, XLogP of 5.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-5-[2-(3,4-dimethylphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione is sourced from PubChem (CID 2832507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).