2-dibenzofuran-3-yl-4-[3-[3-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine

C59H37N5O — CID 154613642

About 2-dibenzofuran-3-yl-4-[3-[3-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine

2-dibenzofuran-3-yl-4-[3-[3-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine (PubChem CID 154613642) has the molecular formula C59H37N5O and a molecular weight of 831.98 g/mol. Its IUPAC name is 2-dibenzofuran-3-yl-4-[3-[3-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-dibenzofuran-3-yl-4-[3-[3-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
• PubChem CID: 154613642
• Molecular Formula: C59H37N5O
• Molecular Weight: 831.98 g/mol
• Exact Mass: 831.30
• IUPAC Name: 2-dibenzofuran-3-yl-4-[3-[3-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
• SMILES: c1ccc(-c2cccc(-c3nc(-c4cccc(-c5cccc(-c6cc(-c7ccc8ccccc8c7)nc(-c7ccccc7)n6)c5)c4)nc(-c4ccc5c(c4)oc4ccccc45)n3)c2)cc1
• InChI: InChI=1S/C59H37N5O/c1-3-14-38(15-4-1)42-20-12-24-47(34-42)57-62-58(64-59(63-57)49-30-31-51-50-26-9-10-27-54(50)65-55(51)36-49)48-25-13-22-44(35-48)43-21-11-23-45(33-43)52-37-53(61-56(60-52)40-17-5-2-6-18-40)46-29-28-39-16-7-8-19-41(39)32-46/h1-37H
• InChIKey: WMUFMTQWFHQTQS-UHFFFAOYSA-N
• XLogP: 15.05
• TPSA: 77.59 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	831.98
LogP ≤ 5	15.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-3-yl-4-[3-[3-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine?

The IUPAC name of 2-dibenzofuran-3-yl-4-[3-[3-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine (CID 154613642) is 2-dibenzofuran-3-yl-4-[3-[3-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine.

What is the SMILES notation for 2-dibenzofuran-3-yl-4-[3-[3-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine?

The canonical SMILES for 2-dibenzofuran-3-yl-4-[3-[3-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine is c1ccc(-c2cccc(-c3nc(-c4cccc(-c5cccc(-c6cc(-c7ccc8ccccc8c7)nc(-c7ccccc7)n6)c5)c4)nc(-c4ccc5c(c4)oc4ccccc45)n3)c2)cc1.

What is the InChIKey of 2-dibenzofuran-3-yl-4-[3-[3-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine?

The InChIKey is WMUFMTQWFHQTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H37N5O/c1-3-14-38(15-4-1)42-20-12-24-47(34-42)57-62-58(64-59(63-57)49-30-31-51-50-26-9-10-27-54(50)65-55(51)36-49)48-25-13-22-44(35-48)43-21-11-23-45(33-43)52-37-53(61-56(60-52)40-17-5-2-6-18-40)46-29-28-39-16-7-8-19-41(39)32-46/h1-37H.

What are the key properties of 2-dibenzofuran-3-yl-4-[3-[3-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine?

2-dibenzofuran-3-yl-4-[3-[3-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine has a molecular weight of 831.98 g/mol, XLogP of 15.05, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-dibenzofuran-3-yl-4-[3-[3-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 154613642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).