4-(3-carbazol-9-ylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione

C56H35N3O2 — CID 134234597

About 4-(3-carbazol-9-ylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione

4-(3-carbazol-9-ylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione (PubChem CID 134234597) has the molecular formula C56H35N3O2 and a molecular weight of 781.92 g/mol. Its IUPAC name is 4-(3-carbazol-9-ylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione.

Molecular Properties

• Compound Name: 4-(3-carbazol-9-ylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione
• PubChem CID: 134234597
• Molecular Formula: C56H35N3O2
• Molecular Weight: 781.92 g/mol
• Exact Mass: 781.27
• IUPAC Name: 4-(3-carbazol-9-ylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione
• SMILES: O=C1c2cccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c2C(=O)N1c1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1
• InChI: InChI=1S/C56H35N3O2/c60-55-44-26-16-30-52(58-50-29-15-12-25-43(50)47-35-40(31-32-51(47)58)57-48-27-13-10-23-41(48)42-24-11-14-28-49(42)57)53(44)56(61)59(55)54-45(37-19-6-2-7-20-37)33-39(36-17-4-1-5-18-36)34-46(54)38-21-8-3-9-22-38/h1-35H
• InChIKey: TZDRKWGEHPBDKQ-UHFFFAOYSA-N
• XLogP: 13.68
• TPSA: 47.24 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	781.92
LogP ≤ 5	13.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(3-carbazol-9-ylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione?

The IUPAC name of 4-(3-carbazol-9-ylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione (CID 134234597) is 4-(3-carbazol-9-ylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione.

What is the SMILES notation for 4-(3-carbazol-9-ylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione?

The canonical SMILES for 4-(3-carbazol-9-ylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione is O=C1c2cccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c2C(=O)N1c1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1.

What is the InChIKey of 4-(3-carbazol-9-ylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione?

The InChIKey is TZDRKWGEHPBDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35N3O2/c60-55-44-26-16-30-52(58-50-29-15-12-25-43(50)47-35-40(31-32-51(47)58)57-48-27-13-10-23-41(48)42-24-11-14-28-49(42)57)53(44)56(61)59(55)54-45(37-19-6-2-7-20-37)33-39(36-17-4-1-5-18-36)34-46(54)38-21-8-3-9-22-38/h1-35H.

What are the key properties of 4-(3-carbazol-9-ylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione?

4-(3-carbazol-9-ylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione has a molecular weight of 781.92 g/mol, XLogP of 13.68, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3-carbazol-9-ylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione is sourced from PubChem (CID 134234597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).