2-(2,4-diphenylphenyl)-4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]isoindole-1,3-dione

C53H33N5O2 — CID 134235066

About 2-(2,4-diphenylphenyl)-4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]isoindole-1,3-dione

2-(2,4-diphenylphenyl)-4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]isoindole-1,3-dione (PubChem CID 134235066) has the molecular formula C53H33N5O2 and a molecular weight of 771.88 g/mol. Its IUPAC name is 2-(2,4-diphenylphenyl)-4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-(2,4-diphenylphenyl)-4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]isoindole-1,3-dione
• PubChem CID: 134235066
• Molecular Formula: C53H33N5O2
• Molecular Weight: 771.88 g/mol
• Exact Mass: 771.26
• IUPAC Name: 2-(2,4-diphenylphenyl)-4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]isoindole-1,3-dione
• SMILES: O=C1c2cccc(-n3c4ccccc4c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc43)c2C(=O)N1c1ccc(-c2ccccc2)cc1-c1ccccc1
• InChI: InChI=1S/C53H33N5O2/c59-52-41-25-15-27-47(48(41)53(60)58(52)45-30-28-38(34-16-5-1-6-17-34)32-42(45)35-18-7-2-8-19-35)57-44-26-14-13-24-40(44)43-33-39(29-31-46(43)57)51-55-49(36-20-9-3-10-21-36)54-50(56-51)37-22-11-4-12-23-37/h1-33H
• InChIKey: JFVNHLJBNZFCHK-UHFFFAOYSA-N
• XLogP: 12.10
• TPSA: 80.98 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	771.88
LogP ≤ 5	12.10
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 2-(2,4-diphenylphenyl)-4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]isoindole-1,3-dione?

The IUPAC name of 2-(2,4-diphenylphenyl)-4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]isoindole-1,3-dione (CID 134235066) is 2-(2,4-diphenylphenyl)-4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]isoindole-1,3-dione.

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

The canonical SMILES for 2-(2,4-diphenylphenyl)-4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]isoindole-1,3-dione is O=C1c2cccc(-n3c4ccccc4c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc43)c2C(=O)N1c1ccc(-c2ccccc2)cc1-c1ccccc1.

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

The InChIKey is JFVNHLJBNZFCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33N5O2/c59-52-41-25-15-27-47(48(41)53(60)58(52)45-30-28-38(34-16-5-1-6-17-34)32-42(45)35-18-7-2-8-19-35)57-44-26-14-13-24-40(44)43-33-39(29-31-46(43)57)51-55-49(36-20-9-3-10-21-36)54-50(56-51)37-22-11-4-12-23-37/h1-33H.

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

2-(2,4-diphenylphenyl)-4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]isoindole-1,3-dione has a molecular weight of 771.88 g/mol, XLogP of 12.10, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,4-diphenylphenyl)-4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]isoindole-1,3-dione is sourced from PubChem (CID 134235066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).