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

C55H32N4O2 — CID 139342726

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

3-[7-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole (PubChem CID 139342726) has the molecular formula C55H32N4O2 and a molecular weight of 780.89 g/mol. Its IUPAC name is 3-[7-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole.

Molecular Properties

• Compound Name: 3-[7-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole
• PubChem CID: 139342726
• Molecular Formula: C55H32N4O2
• Molecular Weight: 780.89 g/mol
• Exact Mass: 780.25
• IUPAC Name: 3-[7-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole
• SMILES: c1ccc(-n2c3ccccc3c3cc(-c4cccc5oc6cc(-c7nc(-c8ccc9ccccc9c8)nc(-c8ccc9c(c8)oc8ccccc89)n7)ccc6c45)ccc32)cc1
• InChI: InChI=1S/C55H32N4O2/c1-2-13-39(14-3-1)59-46-18-8-6-15-41(46)45-30-35(25-28-47(45)59)40-17-10-20-49-52(40)44-27-24-38(32-51(44)61-49)55-57-53(36-22-21-33-11-4-5-12-34(33)29-36)56-54(58-55)37-23-26-43-42-16-7-9-19-48(42)60-50(43)31-37/h1-32H
• InChIKey: ULDJYLVGXIKYMA-UHFFFAOYSA-N
• XLogP: 14.59
• TPSA: 69.88 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	780.89
LogP ≤ 5	14.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3-[7-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole (CID 139342726) is 3-[7-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole.

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

The canonical SMILES for 3-[7-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3cc(-c4cccc5oc6cc(-c7nc(-c8ccc9ccccc9c8)nc(-c8ccc9c(c8)oc8ccccc89)n7)ccc6c45)ccc32)cc1.

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

The InChIKey is ULDJYLVGXIKYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H32N4O2/c1-2-13-39(14-3-1)59-46-18-8-6-15-41(46)45-30-35(25-28-47(45)59)40-17-10-20-49-52(40)44-27-24-38(32-51(44)61-49)55-57-53(36-22-21-33-11-4-5-12-34(33)29-36)56-54(58-55)37-23-26-43-42-16-7-9-19-48(42)60-50(43)31-37/h1-32H.

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

3-[7-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole has a molecular weight of 780.89 g/mol, XLogP of 14.59, 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-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole is sourced from PubChem (CID 139342726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).