2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-3-ylphenyl]carbazole

C53H34N8 — CID 138579049

About 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-3-ylphenyl]carbazole

2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-3-ylphenyl]carbazole (PubChem CID 138579049) has the molecular formula C53H34N8 and a molecular weight of 782.91 g/mol. Its IUPAC name is 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-3-ylphenyl]carbazole.

Molecular Properties

• Compound Name: 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-3-ylphenyl]carbazole
• PubChem CID: 138579049
• Molecular Formula: C53H34N8
• Molecular Weight: 782.91 g/mol
• Exact Mass: 782.29
• IUPAC Name: 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-3-ylphenyl]carbazole
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c5ccccc5n(-c5ccc(-c6cccnc6)cc5-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4c3)n2)cc1
• InChI: InChI=1S/C53H34N8/c1-5-16-35(17-6-1)48-55-49(36-18-7-2-8-19-36)58-52(57-48)40-27-29-43-42-25-13-14-26-45(42)61(47(43)33-40)46-30-28-39(41-24-15-31-54-34-41)32-44(46)53-59-50(37-20-9-3-10-21-37)56-51(60-53)38-22-11-4-12-23-38/h1-34H
• InChIKey: FDFNWSOQQUOVQH-UHFFFAOYSA-N
• XLogP: 12.22
• TPSA: 95.16 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	782.91
LogP ≤ 5	12.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-3-ylphenyl]carbazole?

The IUPAC name of 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-3-ylphenyl]carbazole (CID 138579049) is 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-3-ylphenyl]carbazole.

What is the SMILES notation for 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-3-ylphenyl]carbazole?

The canonical SMILES for 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-3-ylphenyl]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c5ccccc5n(-c5ccc(-c6cccnc6)cc5-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4c3)n2)cc1.

What is the InChIKey of 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-3-ylphenyl]carbazole?

The InChIKey is FDFNWSOQQUOVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34N8/c1-5-16-35(17-6-1)48-55-49(36-18-7-2-8-19-36)58-52(57-48)40-27-29-43-42-25-13-14-26-45(42)61(47(43)33-40)46-30-28-39(41-24-15-31-54-34-41)32-44(46)53-59-50(37-20-9-3-10-21-37)56-51(60-53)38-22-11-4-12-23-38/h1-34H.

What are the key properties of 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-3-ylphenyl]carbazole?

2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-3-ylphenyl]carbazole has a molecular weight of 782.91 g/mol, XLogP of 12.22, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-3-ylphenyl]carbazole is sourced from PubChem (CID 138579049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).