2-(2,5-diphenylphenyl)-4-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]isoindole-1,3-dione;ethane

C49H40N2O2 — CID 142280707

About 2-(2,5-diphenylphenyl)-4-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]isoindole-1,3-dione;ethane

2-(2,5-diphenylphenyl)-4-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]isoindole-1,3-dione;ethane (PubChem CID 142280707) has the molecular formula C49H40N2O2 and a molecular weight of 688.87 g/mol. Its IUPAC name is 2-(2,5-diphenylphenyl)-4-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]isoindole-1,3-dione;ethane.

Molecular Properties

• Compound Name: 2-(2,5-diphenylphenyl)-4-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]isoindole-1,3-dione;ethane
• PubChem CID: 142280707
• Molecular Formula: C49H40N2O2
• Molecular Weight: 688.87 g/mol
• Exact Mass: 688.31
• IUPAC Name: 2-(2,5-diphenylphenyl)-4-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]isoindole-1,3-dione;ethane
• SMILES: CC.Cc1cc(C)c(-c2ccc3c(c2)c2ccccc2n3-c2cccc3c2C(=O)N(c2cc(-c4ccccc4)ccc2-c2ccccc2)C3=O)c(C)c1
• InChI: InChI=1S/C47H34N2O2.C2H6/c1-29-25-30(2)44(31(3)26-29)35-22-24-41-39(27-35)37-17-10-11-19-40(37)48(41)42-20-12-18-38-45(42)47(51)49(46(38)50)43-28-34(32-13-6-4-7-14-32)21-23-36(43)33-15-8-5-9-16-33;1-2/h4-28H,1-3H3;1-2H3
• InChIKey: HHLFENOZLYCQSB-UHFFFAOYSA-N
• XLogP: 12.54
• TPSA: 42.31 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	688.87
LogP ≤ 5	12.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-diphenylphenyl)-4-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]isoindole-1,3-dione;ethane?

The IUPAC name of 2-(2,5-diphenylphenyl)-4-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]isoindole-1,3-dione;ethane (CID 142280707) is 2-(2,5-diphenylphenyl)-4-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]isoindole-1,3-dione;ethane.

What is the SMILES notation for 2-(2,5-diphenylphenyl)-4-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]isoindole-1,3-dione;ethane?

The canonical SMILES for 2-(2,5-diphenylphenyl)-4-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]isoindole-1,3-dione;ethane is CC.Cc1cc(C)c(-c2ccc3c(c2)c2ccccc2n3-c2cccc3c2C(=O)N(c2cc(-c4ccccc4)ccc2-c2ccccc2)C3=O)c(C)c1.

What is the InChIKey of 2-(2,5-diphenylphenyl)-4-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]isoindole-1,3-dione;ethane?

The InChIKey is HHLFENOZLYCQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H34N2O2.C2H6/c1-29-25-30(2)44(31(3)26-29)35-22-24-41-39(27-35)37-17-10-11-19-40(37)48(41)42-20-12-18-38-45(42)47(51)49(46(38)50)43-28-34(32-13-6-4-7-14-32)21-23-36(43)33-15-8-5-9-16-33;1-2/h4-28H,1-3H3;1-2H3.

What are the key properties of 2-(2,5-diphenylphenyl)-4-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]isoindole-1,3-dione;ethane?

2-(2,5-diphenylphenyl)-4-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]isoindole-1,3-dione;ethane has a molecular weight of 688.87 g/mol, XLogP of 12.54, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,5-diphenylphenyl)-4-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]isoindole-1,3-dione;ethane is sourced from PubChem (CID 142280707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).