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

C69H41N5O2 — CID 142568463

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

6-carbazol-9-yl-1-(3-dibenzofuran-2-ylphenyl)-9-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole (PubChem CID 142568463) has the molecular formula C69H41N5O2 and a molecular weight of 972.12 g/mol. Its IUPAC name is 6-carbazol-9-yl-1-(3-dibenzofuran-2-ylphenyl)-9-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole.

Molecular Properties

• Compound Name: 6-carbazol-9-yl-1-(3-dibenzofuran-2-ylphenyl)-9-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole
• PubChem CID: 142568463
• Molecular Formula: C69H41N5O2
• Molecular Weight: 972.12 g/mol
• Exact Mass: 971.33
• IUPAC Name: 6-carbazol-9-yl-1-(3-dibenzofuran-2-ylphenyl)-9-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole
• SMILES: c1ccc(-c2nc(-c3cccc(-n4c5ccc(-n6c7ccccc7c7ccccc76)cc5c5cccc(-c6cccc(-c7ccc8oc9ccccc9c8c7)c6)c54)c3)nc(-c3ccc4c(c3)oc3ccccc34)n2)cc1
• InChI: InChI=1S/C69H41N5O2/c1-2-15-42(16-3-1)67-70-68(72-69(71-67)47-31-34-55-53-23-6-10-29-62(53)76-65(55)40-47)46-19-13-20-48(38-46)74-61-35-33-49(73-59-27-8-4-21-51(59)52-22-5-9-28-60(52)73)41-57(61)56-26-14-25-50(66(56)74)45-18-12-17-43(37-45)44-32-36-64-58(39-44)54-24-7-11-30-63(54)75-64/h1-41H
• InChIKey: HNSNENDLMUJOEU-UHFFFAOYSA-N
• XLogP: 18.20
• TPSA: 74.81 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	972.12
LogP ≤ 5	18.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 6-carbazol-9-yl-1-(3-dibenzofuran-2-ylphenyl)-9-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole (CID 142568463) is 6-carbazol-9-yl-1-(3-dibenzofuran-2-ylphenyl)-9-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole.

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

The canonical SMILES for 6-carbazol-9-yl-1-(3-dibenzofuran-2-ylphenyl)-9-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole is c1ccc(-c2nc(-c3cccc(-n4c5ccc(-n6c7ccccc7c7ccccc76)cc5c5cccc(-c6cccc(-c7ccc8oc9ccccc9c8c7)c6)c54)c3)nc(-c3ccc4c(c3)oc3ccccc34)n2)cc1.

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

The InChIKey is HNSNENDLMUJOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H41N5O2/c1-2-15-42(16-3-1)67-70-68(72-69(71-67)47-31-34-55-53-23-6-10-29-62(53)76-65(55)40-47)46-19-13-20-48(38-46)74-61-35-33-49(73-59-27-8-4-21-51(59)52-22-5-9-28-60(52)73)41-57(61)56-26-14-25-50(66(56)74)45-18-12-17-43(37-45)44-32-36-64-58(39-44)54-24-7-11-30-63(54)75-64/h1-41H.

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

6-carbazol-9-yl-1-(3-dibenzofuran-2-ylphenyl)-9-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole has a molecular weight of 972.12 g/mol, XLogP of 18.20, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-carbazol-9-yl-1-(3-dibenzofuran-2-ylphenyl)-9-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole is sourced from PubChem (CID 142568463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).