2-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole

C55H36N6 — CID 146648358

About 2-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole

2-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole (PubChem CID 146648358) has the molecular formula C55H36N6 and a molecular weight of 780.94 g/mol. Its IUPAC name is 2-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole.

Molecular Properties

• Compound Name: 2-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole
• PubChem CID: 146648358
• Molecular Formula: C55H36N6
• Molecular Weight: 780.94 g/mol
• Exact Mass: 780.30
• IUPAC Name: 2-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole
• SMILES: c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)n2)cc1
• InChI: InChI=1S/C55H36N6/c1-6-18-37(19-7-1)48-36-49(38-20-8-2-9-21-38)57-54(56-48)42-31-32-44(41-30-33-46-45-28-16-17-29-50(45)61(51(46)35-41)43-26-14-5-15-27-43)47(34-42)55-59-52(39-22-10-3-11-23-39)58-53(60-55)40-24-12-4-13-25-40/h1-36H
• InChIKey: JEHRPVKAYIVGRE-UHFFFAOYSA-N
• XLogP: 13.43
• TPSA: 69.38 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	780.94
LogP ≤ 5	13.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole?

The IUPAC name of 2-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole (CID 146648358) is 2-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole.

What is the SMILES notation for 2-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole?

The canonical SMILES for 2-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole is c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)n2)cc1.

What is the InChIKey of 2-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole?

The InChIKey is JEHRPVKAYIVGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H36N6/c1-6-18-37(19-7-1)48-36-49(38-20-8-2-9-21-38)57-54(56-48)42-31-32-44(41-30-33-46-45-28-16-17-29-50(45)61(51(46)35-41)43-26-14-5-15-27-43)47(34-42)55-59-52(39-22-10-3-11-23-39)58-53(60-55)40-24-12-4-13-25-40/h1-36H.

What are the key properties of 2-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole?

2-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole has a molecular weight of 780.94 g/mol, XLogP of 13.43, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole is sourced from PubChem (CID 146648358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).