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

C57H36N4O — CID 154602264

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

3-[4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]phenyl]-9-phenylcarbazole (PubChem CID 154602264) has the molecular formula C57H36N4O and a molecular weight of 792.94 g/mol. Its IUPAC name is 3-[4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]phenyl]-9-phenylcarbazole.

Molecular Properties

• Compound Name: 3-[4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]phenyl]-9-phenylcarbazole
• PubChem CID: 154602264
• Molecular Formula: C57H36N4O
• Molecular Weight: 792.94 g/mol
• Exact Mass: 792.29
• IUPAC Name: 3-[4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]phenyl]-9-phenylcarbazole
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5ccc(-c6cccc(-c7ccc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)cc7)c6)cc5c34)n2)cc1
• InChI: InChI=1S/C57H36N4O/c1-4-14-39(15-5-1)55-58-56(40-16-6-2-7-17-40)60-57(59-55)47-23-13-25-53-54(47)49-36-44(31-33-52(49)62-53)42-19-12-18-41(34-42)37-26-28-38(29-27-37)43-30-32-51-48(35-43)46-22-10-11-24-50(46)61(51)45-20-8-3-9-21-45/h1-36H
• InChIKey: DDSBQMUVOSCXAA-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 3-[4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]phenyl]-9-phenylcarbazole?

The IUPAC name of 3-[4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]phenyl]-9-phenylcarbazole (CID 154602264) is 3-[4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]phenyl]-9-phenylcarbazole.

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

The canonical SMILES for 3-[4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]phenyl]-9-phenylcarbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5ccc(-c6cccc(-c7ccc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)cc7)c6)cc5c34)n2)cc1.

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

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

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

3-[4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]phenyl]-9-phenylcarbazole 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 3-[4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]phenyl]-9-phenylcarbazole is sourced from PubChem (CID 154602264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).