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

C57H37N5 — CID 155233044

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

1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-phenylcarbazol-9-yl)phenyl]-9-phenylcarbazole (PubChem CID 155233044) has the molecular formula C57H37N5 and a molecular weight of 791.96 g/mol. Its IUPAC name is 1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-phenylcarbazol-9-yl)phenyl]-9-phenylcarbazole.

Molecular Properties

• Compound Name: 1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-phenylcarbazol-9-yl)phenyl]-9-phenylcarbazole
• PubChem CID: 155233044
• Molecular Formula: C57H37N5
• Molecular Weight: 791.96 g/mol
• Exact Mass: 791.30
• IUPAC Name: 1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-phenylcarbazol-9-yl)phenyl]-9-phenylcarbazole
• SMILES: c1ccc(-c2ccc3c4ccccc4n(-c4ccc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)cc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)cc1
• InChI: InChI=1S/C57H37N5/c1-5-18-38(19-6-1)41-32-34-47-45-26-13-16-31-51(45)62(53(47)37-41)52-35-33-42(44-28-17-29-48-46-27-14-15-30-50(46)61(54(44)48)43-24-11-4-12-25-43)36-49(52)57-59-55(39-20-7-2-8-21-39)58-56(60-57)40-22-9-3-10-23-40/h1-37H
• InChIKey: HUWGZOZOHOUALW-UHFFFAOYSA-N
• XLogP: 14.40
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	791.96
LogP ≤ 5	14.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-phenylcarbazol-9-yl)phenyl]-9-phenylcarbazole (CID 155233044) is 1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-phenylcarbazol-9-yl)phenyl]-9-phenylcarbazole.

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

The canonical SMILES for 1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-phenylcarbazol-9-yl)phenyl]-9-phenylcarbazole is c1ccc(-c2ccc3c4ccccc4n(-c4ccc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)cc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)cc1.

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

The InChIKey is HUWGZOZOHOUALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H37N5/c1-5-18-38(19-6-1)41-32-34-47-45-26-13-16-31-51(45)62(53(47)37-41)52-35-33-42(44-28-17-29-48-46-27-14-15-30-50(46)61(54(44)48)43-24-11-4-12-25-43)36-49(52)57-59-55(39-20-7-2-8-21-39)58-56(60-57)40-22-9-3-10-23-40/h1-37H.

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

1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-phenylcarbazol-9-yl)phenyl]-9-phenylcarbazole has a molecular weight of 791.96 g/mol, XLogP of 14.40, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-phenylcarbazol-9-yl)phenyl]-9-phenylcarbazole is sourced from PubChem (CID 155233044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).