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

C65H45N5O — CID 142568378

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

6-carbazol-9-yl-1-(3-dibenzofuran-4-ylphenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;ethane (PubChem CID 142568378) has the molecular formula C65H45N5O and a molecular weight of 912.11 g/mol. Its IUPAC name is 6-carbazol-9-yl-1-(3-dibenzofuran-4-ylphenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;ethane.

Molecular Properties

• Compound Name: 6-carbazol-9-yl-1-(3-dibenzofuran-4-ylphenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;ethane
• PubChem CID: 142568378
• Molecular Formula: C65H45N5O
• Molecular Weight: 912.11 g/mol
• Exact Mass: 911.36
• IUPAC Name: 6-carbazol-9-yl-1-(3-dibenzofuran-4-ylphenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;ethane
• SMILES: CC.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccc(-n6c7ccccc7c7ccccc76)cc5c5cccc(-c6cccc(-c7cccc8c7oc7ccccc78)c6)c54)c3)n2)cc1
• InChI: InChI=1S/C63H39N5O.C2H6/c1-3-17-40(18-4-1)61-64-62(41-19-5-2-6-20-41)66-63(65-61)44-23-14-24-45(38-44)68-57-36-35-46(67-55-32-10-7-25-49(55)50-26-8-11-33-56(50)67)39-54(57)52-30-15-28-47(59(52)68)42-21-13-22-43(37-42)48-29-16-31-53-51-27-9-12-34-58(51)69-60(48)53;1-2/h1-39H;1-2H3
• InChIKey: HOEJZZGRANWUGF-UHFFFAOYSA-N
• XLogP: 17.33
• TPSA: 61.67 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	912.11
LogP ≤ 5	17.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 6-carbazol-9-yl-1-(3-dibenzofuran-4-ylphenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;ethane (CID 142568378) is 6-carbazol-9-yl-1-(3-dibenzofuran-4-ylphenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;ethane.

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

The canonical SMILES for 6-carbazol-9-yl-1-(3-dibenzofuran-4-ylphenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;ethane is CC.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccc(-n6c7ccccc7c7ccccc76)cc5c5cccc(-c6cccc(-c7cccc8c7oc7ccccc78)c6)c54)c3)n2)cc1.

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

The InChIKey is HOEJZZGRANWUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H39N5O.C2H6/c1-3-17-40(18-4-1)61-64-62(41-19-5-2-6-20-41)66-63(65-61)44-23-14-24-45(38-44)68-57-36-35-46(67-55-32-10-7-25-49(55)50-26-8-11-33-56(50)67)39-54(57)52-30-15-28-47(59(52)68)42-21-13-22-43(37-42)48-29-16-31-53-51-27-9-12-34-58(51)69-60(48)53;1-2/h1-39H;1-2H3.

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

6-carbazol-9-yl-1-(3-dibenzofuran-4-ylphenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;ethane has a molecular weight of 912.11 g/mol, XLogP of 17.33, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-carbazol-9-yl-1-(3-dibenzofuran-4-ylphenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;ethane is sourced from PubChem (CID 142568378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).