8-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-phenylphenyl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole

C57H36N4O — CID 153459565

About 8-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-phenylphenyl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole

8-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-phenylphenyl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole (PubChem CID 153459565) has the molecular formula C57H36N4O and a molecular weight of 792.94 g/mol. Its IUPAC name is 8-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-phenylphenyl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

• Compound Name: 8-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-phenylphenyl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole
• PubChem CID: 153459565
• Molecular Formula: C57H36N4O
• Molecular Weight: 792.94 g/mol
• Exact Mass: 792.29
• IUPAC Name: 8-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-phenylphenyl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccccc4-c4ccccc4)ccc3-c3cccc4oc5c(ccc6c5c5ccccc5n6-c5ccccc5)c34)n2)cc1
• InChI: InChI=1S/C57H36N4O/c1-5-18-37(19-6-1)42-26-13-14-27-43(42)40-32-33-44(48(36-40)57-59-55(38-20-7-2-8-21-38)58-56(60-57)39-22-9-3-10-23-39)45-29-17-31-51-52(45)47-34-35-50-53(54(47)62-51)46-28-15-16-30-49(46)61(50)41-24-11-4-12-25-41/h1-36H
• InChIKey: HGUCQINCMVPIDL-UHFFFAOYSA-N
• XLogP: 14.87
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	792.94
LogP ≤ 5	14.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 8-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-phenylphenyl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole?

The IUPAC name of 8-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-phenylphenyl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole (CID 153459565) is 8-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-phenylphenyl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole.

What is the SMILES notation for 8-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-phenylphenyl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole?

The canonical SMILES for 8-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-phenylphenyl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccccc4-c4ccccc4)ccc3-c3cccc4oc5c(ccc6c5c5ccccc5n6-c5ccccc5)c34)n2)cc1.

What is the InChIKey of 8-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-phenylphenyl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole?

The InChIKey is HGUCQINCMVPIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H36N4O/c1-5-18-37(19-6-1)42-26-13-14-27-43(42)40-32-33-44(48(36-40)57-59-55(38-20-7-2-8-21-38)58-56(60-57)39-22-9-3-10-23-39)45-29-17-31-51-52(45)47-34-35-50-53(54(47)62-51)46-28-15-16-30-49(46)61(50)41-24-11-4-12-25-41/h1-36H.

What are the key properties of 8-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-phenylphenyl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole?

8-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-phenylphenyl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole has a molecular weight of 792.94 g/mol, XLogP of 14.87, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-phenylphenyl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 153459565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).