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

C57H34N4O2 — CID 168767945

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

4-[9-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole (PubChem CID 168767945) has the molecular formula C57H34N4O2 and a molecular weight of 806.93 g/mol. Its IUPAC name is 4-[9-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole.

Molecular Properties

• Compound Name: 4-[9-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole
• PubChem CID: 168767945
• Molecular Formula: C57H34N4O2
• Molecular Weight: 806.93 g/mol
• Exact Mass: 806.27
• IUPAC Name: 4-[9-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole
• SMILES: c1ccc(-c2nc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)nc(-c3cccc4oc5ccc(-c6cccc7c6c6ccccc6n7-c6ccccc6)cc5c34)n2)cc1
• InChI: InChI=1S/C57H34N4O2/c1-3-14-36(15-4-1)55-58-56(37-30-28-35(29-31-37)41-21-11-22-43-42-18-8-10-26-49(42)63-54(41)43)60-57(59-55)45-23-13-27-51-53(45)46-34-38(32-33-50(46)62-51)40-20-12-25-48-52(40)44-19-7-9-24-47(44)61(48)39-16-5-2-6-17-39/h1-34H
• InChIKey: ONWWGHUZHFLGHM-UHFFFAOYSA-N
• XLogP: 15.10
• TPSA: 69.88 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	806.93
LogP ≤ 5	15.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 4-[9-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole (CID 168767945) is 4-[9-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole.

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

The canonical SMILES for 4-[9-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole is c1ccc(-c2nc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)nc(-c3cccc4oc5ccc(-c6cccc7c6c6ccccc6n7-c6ccccc6)cc5c34)n2)cc1.

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

The InChIKey is ONWWGHUZHFLGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H34N4O2/c1-3-14-36(15-4-1)55-58-56(37-30-28-35(29-31-37)41-21-11-22-43-42-18-8-10-26-49(42)63-54(41)43)60-57(59-55)45-23-13-27-51-53(45)46-34-38(32-33-50(46)62-51)40-20-12-25-48-52(40)44-19-7-9-24-47(44)61(48)39-16-5-2-6-17-39/h1-34H.

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

4-[9-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole has a molecular weight of 806.93 g/mol, XLogP of 15.10, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[9-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole is sourced from PubChem (CID 168767945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).