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

C65H44N4O2 — CID 142568284

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

1-(3-dibenzofuran-4-ylphenyl)-9-[3-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;ethane (PubChem CID 142568284) has the molecular formula C65H44N4O2 and a molecular weight of 913.09 g/mol. Its IUPAC name is 1-(3-dibenzofuran-4-ylphenyl)-9-[3-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;ethane.

Molecular Properties

• Compound Name: 1-(3-dibenzofuran-4-ylphenyl)-9-[3-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;ethane
• PubChem CID: 142568284
• Molecular Formula: C65H44N4O2
• Molecular Weight: 913.09 g/mol
• Exact Mass: 912.35
• IUPAC Name: 1-(3-dibenzofuran-4-ylphenyl)-9-[3-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;ethane
• SMILES: CC.c1ccc(-c2nc(-c3cccc(-c4cccc(-n5c6ccccc6c6cccc(-c7cccc(-c8cccc9c8oc8ccccc89)c7)c65)c4)c3)nc(-c3ccc4c(c3)oc3ccccc34)n2)cc1
• InChI: InChI=1S/C63H38N4O2.C2H6/c1-2-15-39(16-3-1)61-64-62(66-63(65-61)45-33-34-52-50-24-5-8-31-56(50)68-58(52)38-45)44-21-10-17-40(35-44)41-18-12-22-46(37-41)67-55-30-7-4-23-49(55)53-28-13-26-47(59(53)67)42-19-11-20-43(36-42)48-27-14-29-54-51-25-6-9-32-57(51)69-60(48)54;1-2/h1-38H;1-2H3
• InChIKey: PWEPSOPWZLIRHG-UHFFFAOYSA-N
• XLogP: 17.80
• TPSA: 69.88 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	913.09
LogP ≤ 5	17.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-(3-dibenzofuran-4-ylphenyl)-9-[3-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;ethane (CID 142568284) is 1-(3-dibenzofuran-4-ylphenyl)-9-[3-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;ethane.

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

The canonical SMILES for 1-(3-dibenzofuran-4-ylphenyl)-9-[3-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;ethane is CC.c1ccc(-c2nc(-c3cccc(-c4cccc(-n5c6ccccc6c6cccc(-c7cccc(-c8cccc9c8oc8ccccc89)c7)c65)c4)c3)nc(-c3ccc4c(c3)oc3ccccc34)n2)cc1.

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

The InChIKey is PWEPSOPWZLIRHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H38N4O2.C2H6/c1-2-15-39(16-3-1)61-64-62(66-63(65-61)45-33-34-52-50-24-5-8-31-56(50)68-58(52)38-45)44-21-10-17-40(35-44)41-18-12-22-46(37-41)67-55-30-7-4-23-49(55)53-28-13-26-47(59(53)67)42-19-11-20-43(36-42)48-27-14-29-54-51-25-6-9-32-57(51)69-60(48)54;1-2/h1-38H;1-2H3.

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

1-(3-dibenzofuran-4-ylphenyl)-9-[3-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;ethane has a molecular weight of 913.09 g/mol, XLogP of 17.80, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-dibenzofuran-4-ylphenyl)-9-[3-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;ethane is sourced from PubChem (CID 142568284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).