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

C58H36N6O — CID 129292117

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

3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenyl-6-(1-phenylbenzimidazol-2-yl)carbazole (PubChem CID 129292117) has the molecular formula C58H36N6O and a molecular weight of 832.97 g/mol. Its IUPAC name is 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenyl-6-(1-phenylbenzimidazol-2-yl)carbazole.

Molecular Properties

• Compound Name: 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenyl-6-(1-phenylbenzimidazol-2-yl)carbazole
• PubChem CID: 129292117
• Molecular Formula: C58H36N6O
• Molecular Weight: 832.97 g/mol
• Exact Mass: 832.30
• IUPAC Name: 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenyl-6-(1-phenylbenzimidazol-2-yl)carbazole
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5ccc(-c6ccc7c(c6)c6cc(-c8nc9ccccc9n8-c8ccccc8)ccc6n7-c6ccccc6)cc5c34)n2)cc1
• InChI: InChI=1S/C58H36N6O/c1-5-16-37(17-6-1)55-60-56(38-18-7-2-8-19-38)62-57(61-55)44-24-15-27-53-54(44)47-35-40(30-33-52(47)65-53)39-28-31-49-45(34-39)46-36-41(29-32-50(46)63(49)42-20-9-3-10-21-42)58-59-48-25-13-14-26-51(48)64(58)43-22-11-4-12-23-43/h1-36H
• InChIKey: PBHZRAQCNNRJFS-UHFFFAOYSA-N
• XLogP: 14.54
• TPSA: 74.56 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	832.97
LogP ≤ 5	14.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenyl-6-(1-phenylbenzimidazol-2-yl)carbazole (CID 129292117) is 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenyl-6-(1-phenylbenzimidazol-2-yl)carbazole.

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

The canonical SMILES for 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenyl-6-(1-phenylbenzimidazol-2-yl)carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5ccc(-c6ccc7c(c6)c6cc(-c8nc9ccccc9n8-c8ccccc8)ccc6n7-c6ccccc6)cc5c34)n2)cc1.

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

The InChIKey is PBHZRAQCNNRJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36N6O/c1-5-16-37(17-6-1)55-60-56(38-18-7-2-8-19-38)62-57(61-55)44-24-15-27-53-54(44)47-35-40(30-33-52(47)65-53)39-28-31-49-45(34-39)46-36-41(29-32-50(46)63(49)42-20-9-3-10-21-42)58-59-48-25-13-14-26-51(48)64(58)43-22-11-4-12-23-43/h1-36H.

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

3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenyl-6-(1-phenylbenzimidazol-2-yl)carbazole has a molecular weight of 832.97 g/mol, XLogP of 14.54, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenyl-6-(1-phenylbenzimidazol-2-yl)carbazole is sourced from PubChem (CID 129292117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).