4-(2,7-dipyridin-2-ylcarbazol-9-yl)-2-(4-phenylphenyl)isoindole-1,3-dione

C42H26N4O2 — CID 142280587

About 4-(2,7-dipyridin-2-ylcarbazol-9-yl)-2-(4-phenylphenyl)isoindole-1,3-dione

4-(2,7-dipyridin-2-ylcarbazol-9-yl)-2-(4-phenylphenyl)isoindole-1,3-dione (PubChem CID 142280587) has the molecular formula C42H26N4O2 and a molecular weight of 618.70 g/mol. Its IUPAC name is 4-(2,7-dipyridin-2-ylcarbazol-9-yl)-2-(4-phenylphenyl)isoindole-1,3-dione.

Molecular Properties

• Compound Name: 4-(2,7-dipyridin-2-ylcarbazol-9-yl)-2-(4-phenylphenyl)isoindole-1,3-dione
• PubChem CID: 142280587
• Molecular Formula: C42H26N4O2
• Molecular Weight: 618.70 g/mol
• Exact Mass: 618.21
• IUPAC Name: 4-(2,7-dipyridin-2-ylcarbazol-9-yl)-2-(4-phenylphenyl)isoindole-1,3-dione
• SMILES: O=C1c2cccc(-n3c4cc(-c5ccccn5)ccc4c4ccc(-c5ccccn5)cc43)c2C(=O)N1c1ccc(-c2ccccc2)cc1
• InChI: InChI=1S/C42H26N4O2/c47-41-34-11-8-14-37(40(34)42(48)45(41)31-19-15-28(16-20-31)27-9-2-1-3-10-27)46-38-25-29(35-12-4-6-23-43-35)17-21-32(38)33-22-18-30(26-39(33)46)36-13-5-7-24-44-36/h1-26H
• InChIKey: MZEBDGKNIKJTRV-UHFFFAOYSA-N
• XLogP: 9.38
• TPSA: 68.09 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	618.70
LogP ≤ 5	9.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(2,7-dipyridin-2-ylcarbazol-9-yl)-2-(4-phenylphenyl)isoindole-1,3-dione?

The IUPAC name of 4-(2,7-dipyridin-2-ylcarbazol-9-yl)-2-(4-phenylphenyl)isoindole-1,3-dione (CID 142280587) is 4-(2,7-dipyridin-2-ylcarbazol-9-yl)-2-(4-phenylphenyl)isoindole-1,3-dione.

What is the SMILES notation for 4-(2,7-dipyridin-2-ylcarbazol-9-yl)-2-(4-phenylphenyl)isoindole-1,3-dione?

The canonical SMILES for 4-(2,7-dipyridin-2-ylcarbazol-9-yl)-2-(4-phenylphenyl)isoindole-1,3-dione is O=C1c2cccc(-n3c4cc(-c5ccccn5)ccc4c4ccc(-c5ccccn5)cc43)c2C(=O)N1c1ccc(-c2ccccc2)cc1.

What is the InChIKey of 4-(2,7-dipyridin-2-ylcarbazol-9-yl)-2-(4-phenylphenyl)isoindole-1,3-dione?

The InChIKey is MZEBDGKNIKJTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N4O2/c47-41-34-11-8-14-37(40(34)42(48)45(41)31-19-15-28(16-20-31)27-9-2-1-3-10-27)46-38-25-29(35-12-4-6-23-43-35)17-21-32(38)33-22-18-30(26-39(33)46)36-13-5-7-24-44-36/h1-26H.

What are the key properties of 4-(2,7-dipyridin-2-ylcarbazol-9-yl)-2-(4-phenylphenyl)isoindole-1,3-dione?

4-(2,7-dipyridin-2-ylcarbazol-9-yl)-2-(4-phenylphenyl)isoindole-1,3-dione has a molecular weight of 618.70 g/mol, XLogP of 9.38, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2,7-dipyridin-2-ylcarbazol-9-yl)-2-(4-phenylphenyl)isoindole-1,3-dione is sourced from PubChem (CID 142280587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).