5-carbazol-9-yl-2-[3-[3-(5-carbazol-9-yl-1,3-dioxoisoindol-2-yl)phenyl]phenyl]isoindole-1,3-dione

C52H30N4O4 — CID 118972314

About 5-carbazol-9-yl-2-[3-[3-(5-carbazol-9-yl-1,3-dioxoisoindol-2-yl)phenyl]phenyl]isoindole-1,3-dione

5-carbazol-9-yl-2-[3-[3-(5-carbazol-9-yl-1,3-dioxoisoindol-2-yl)phenyl]phenyl]isoindole-1,3-dione (PubChem CID 118972314) has the molecular formula C52H30N4O4 and a molecular weight of 774.84 g/mol. Its IUPAC name is 5-carbazol-9-yl-2-[3-[3-(5-carbazol-9-yl-1,3-dioxoisoindol-2-yl)phenyl]phenyl]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 5-carbazol-9-yl-2-[3-[3-(5-carbazol-9-yl-1,3-dioxoisoindol-2-yl)phenyl]phenyl]isoindole-1,3-dione
• PubChem CID: 118972314
• Molecular Formula: C52H30N4O4
• Molecular Weight: 774.84 g/mol
• Exact Mass: 774.23
• IUPAC Name: 5-carbazol-9-yl-2-[3-[3-(5-carbazol-9-yl-1,3-dioxoisoindol-2-yl)phenyl]phenyl]isoindole-1,3-dione
• SMILES: O=C1c2ccc(-n3c4ccccc4c4ccccc43)cc2C(=O)N1c1cccc(-c2cccc(N3C(=O)c4ccc(-n5c6ccccc6c6ccccc65)cc4C3=O)c2)c1
• InChI: InChI=1S/C52H30N4O4/c57-49-41-25-23-35(53-45-19-5-1-15-37(45)38-16-2-6-20-46(38)53)29-43(41)51(59)55(49)33-13-9-11-31(27-33)32-12-10-14-34(28-32)56-50(58)42-26-24-36(30-44(42)52(56)60)54-47-21-7-3-17-39(47)40-18-4-8-22-48(40)54/h1-30H
• InChIKey: JLUJLKRQDZEVAR-UHFFFAOYSA-N
• XLogP: 11.15
• TPSA: 84.62 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	774.84
LogP ≤ 5	11.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-carbazol-9-yl-2-[3-[3-(5-carbazol-9-yl-1,3-dioxoisoindol-2-yl)phenyl]phenyl]isoindole-1,3-dione?

The IUPAC name of 5-carbazol-9-yl-2-[3-[3-(5-carbazol-9-yl-1,3-dioxoisoindol-2-yl)phenyl]phenyl]isoindole-1,3-dione (CID 118972314) is 5-carbazol-9-yl-2-[3-[3-(5-carbazol-9-yl-1,3-dioxoisoindol-2-yl)phenyl]phenyl]isoindole-1,3-dione.

What is the SMILES notation for 5-carbazol-9-yl-2-[3-[3-(5-carbazol-9-yl-1,3-dioxoisoindol-2-yl)phenyl]phenyl]isoindole-1,3-dione?

The canonical SMILES for 5-carbazol-9-yl-2-[3-[3-(5-carbazol-9-yl-1,3-dioxoisoindol-2-yl)phenyl]phenyl]isoindole-1,3-dione is O=C1c2ccc(-n3c4ccccc4c4ccccc43)cc2C(=O)N1c1cccc(-c2cccc(N3C(=O)c4ccc(-n5c6ccccc6c6ccccc65)cc4C3=O)c2)c1.

What is the InChIKey of 5-carbazol-9-yl-2-[3-[3-(5-carbazol-9-yl-1,3-dioxoisoindol-2-yl)phenyl]phenyl]isoindole-1,3-dione?

The InChIKey is JLUJLKRQDZEVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H30N4O4/c57-49-41-25-23-35(53-45-19-5-1-15-37(45)38-16-2-6-20-46(38)53)29-43(41)51(59)55(49)33-13-9-11-31(27-33)32-12-10-14-34(28-32)56-50(58)42-26-24-36(30-44(42)52(56)60)54-47-21-7-3-17-39(47)40-18-4-8-22-48(40)54/h1-30H.

What are the key properties of 5-carbazol-9-yl-2-[3-[3-(5-carbazol-9-yl-1,3-dioxoisoindol-2-yl)phenyl]phenyl]isoindole-1,3-dione?

5-carbazol-9-yl-2-[3-[3-(5-carbazol-9-yl-1,3-dioxoisoindol-2-yl)phenyl]phenyl]isoindole-1,3-dione has a molecular weight of 774.84 g/mol, XLogP of 11.15, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-carbazol-9-yl-2-[3-[3-(5-carbazol-9-yl-1,3-dioxoisoindol-2-yl)phenyl]phenyl]isoindole-1,3-dione is sourced from PubChem (CID 118972314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).