3-[7-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole

C51H30N4O2 — CID 158642418

About 3-[7-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole

3-[7-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole (PubChem CID 158642418) has the molecular formula C51H30N4O2 and a molecular weight of 730.83 g/mol. Its IUPAC name is 3-[7-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole.

Molecular Properties

• Compound Name: 3-[7-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole
• PubChem CID: 158642418
• Molecular Formula: C51H30N4O2
• Molecular Weight: 730.83 g/mol
• Exact Mass: 730.24
• IUPAC Name: 3-[7-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole
• SMILES: c1ccc(-c2nc(-c3ccc4c(c3)oc3cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc34)nc(-c3ccc4oc5ccccc5c4c3)n2)cc1
• InChI: InChI=1S/C51H30N4O2/c1-3-11-31(12-4-1)49-52-50(34-22-26-46-42(28-34)38-16-8-10-18-45(38)56-46)54-51(53-49)35-20-24-40-39-23-19-33(29-47(39)57-48(40)30-35)32-21-25-44-41(27-32)37-15-7-9-17-43(37)55(44)36-13-5-2-6-14-36/h1-30H
• InChIKey: UBYQKAFAEIKQCD-UHFFFAOYSA-N
• XLogP: 13.44
• TPSA: 69.88 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	730.83
LogP ≤ 5	13.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[7-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole?

The IUPAC name of 3-[7-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole (CID 158642418) is 3-[7-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole.

What is the SMILES notation for 3-[7-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole?

The canonical SMILES for 3-[7-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole is c1ccc(-c2nc(-c3ccc4c(c3)oc3cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc34)nc(-c3ccc4oc5ccccc5c4c3)n2)cc1.

What is the InChIKey of 3-[7-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole?

The InChIKey is UBYQKAFAEIKQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H30N4O2/c1-3-11-31(12-4-1)49-52-50(34-22-26-46-42(28-34)38-16-8-10-18-45(38)56-46)54-51(53-49)35-20-24-40-39-23-19-33(29-47(39)57-48(40)30-35)32-21-25-44-41(27-32)37-15-7-9-17-43(37)55(44)36-13-5-2-6-14-36/h1-30H.

What are the key properties of 3-[7-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole?

3-[7-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole has a molecular weight of 730.83 g/mol, XLogP of 13.44, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[7-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole is sourced from PubChem (CID 158642418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).