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

C56H37N5 — CID 146648371

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

2-[4-(2,6-diphenyl-4-pyridinyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole (PubChem CID 146648371) has the molecular formula C56H37N5 and a molecular weight of 779.95 g/mol. Its IUPAC name is 2-[4-(2,6-diphenyl-4-pyridinyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole.

Molecular Properties

• Compound Name: 2-[4-(2,6-diphenyl-4-pyridinyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole
• PubChem CID: 146648371
• Molecular Formula: C56H37N5
• Molecular Weight: 779.95 g/mol
• Exact Mass: 779.30
• IUPAC Name: 2-[4-(2,6-diphenyl-4-pyridinyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole
• SMILES: c1ccc(-c2cc(-c3ccc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)cc(-c3ccccc3)n2)cc1
• InChI: InChI=1S/C56H37N5/c1-6-18-38(19-7-1)50-35-44(36-51(57-50)39-20-8-2-9-21-39)42-30-32-46(43-31-33-48-47-28-16-17-29-52(47)61(53(48)37-43)45-26-14-5-15-27-45)49(34-42)56-59-54(40-22-10-3-11-23-40)58-55(60-56)41-24-12-4-13-25-41/h1-37H
• InChIKey: PIQJWPMJOZVQSI-UHFFFAOYSA-N
• XLogP: 14.03
• TPSA: 56.49 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	779.95
LogP ≤ 5	14.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-[4-(2,6-diphenyl-4-pyridinyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole (CID 146648371) is 2-[4-(2,6-diphenyl-4-pyridinyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole.

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

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

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

The InChIKey is PIQJWPMJOZVQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H37N5/c1-6-18-38(19-7-1)50-35-44(36-51(57-50)39-20-8-2-9-21-39)42-30-32-46(43-31-33-48-47-28-16-17-29-52(47)61(53(48)37-43)45-26-14-5-15-27-45)49(34-42)56-59-54(40-22-10-3-11-23-40)58-55(60-56)41-24-12-4-13-25-41/h1-37H.

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

2-[4-(2,6-diphenyl-4-pyridinyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole has a molecular weight of 779.95 g/mol, XLogP of 14.03, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(2,6-diphenyl-4-pyridinyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole is sourced from PubChem (CID 146648371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).