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

C51H30N4O2 — CID 169011187

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

9-[6-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzofuran-4-yl]carbazole (PubChem CID 169011187) has the molecular formula C51H30N4O2 and a molecular weight of 730.83 g/mol. Its IUPAC name is 9-[6-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzofuran-4-yl]carbazole.

Molecular Properties

• Compound Name: 9-[6-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzofuran-4-yl]carbazole
• PubChem CID: 169011187
• Molecular Formula: C51H30N4O2
• Molecular Weight: 730.83 g/mol
• Exact Mass: 730.24
• IUPAC Name: 9-[6-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzofuran-4-yl]carbazole
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3oc3cc(-c5cccc6c5oc5c(-n7c8ccccc8c8ccccc87)cccc56)ccc34)n2)cc1
• InChI: InChI=1S/C51H30N4O2/c1-3-14-31(15-4-1)49-52-50(32-16-5-2-6-17-32)54-51(53-49)41-24-12-21-38-37-29-28-33(30-45(37)56-47(38)41)34-20-11-22-39-40-23-13-27-44(48(40)57-46(34)39)55-42-25-9-7-18-35(42)36-19-8-10-26-43(36)55/h1-30H
• InChIKey: JBBVLSYRIDFVIN-UHFFFAOYSA-N
• XLogP: 13.44
• TPSA: 69.88 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	730.83
LogP ≤ 5	13.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 9-[6-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzofuran-4-yl]carbazole (CID 169011187) is 9-[6-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzofuran-4-yl]carbazole.

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

The canonical SMILES for 9-[6-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzofuran-4-yl]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3oc3cc(-c5cccc6c5oc5c(-n7c8ccccc8c8ccccc87)cccc56)ccc34)n2)cc1.

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

The InChIKey is JBBVLSYRIDFVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H30N4O2/c1-3-14-31(15-4-1)49-52-50(32-16-5-2-6-17-32)54-51(53-49)41-24-12-21-38-37-29-28-33(30-45(37)56-47(38)41)34-20-11-22-39-40-23-13-27-44(48(40)57-46(34)39)55-42-25-9-7-18-35(42)36-19-8-10-26-43(36)55/h1-30H.

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

9-[6-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzofuran-4-yl]carbazole has a molecular weight of 730.83 g/mol, XLogP of 13.44, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[6-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzofuran-4-yl]carbazole is sourced from PubChem (CID 169011187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).