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

C57H34N4O2 — CID 170228474

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

9-[4-[3-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]carbazole (PubChem CID 170228474) has the molecular formula C57H34N4O2 and a molecular weight of 806.93 g/mol. Its IUPAC name is 9-[4-[3-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]carbazole.

Molecular Properties

• Compound Name: 9-[4-[3-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]carbazole
• PubChem CID: 170228474
• Molecular Formula: C57H34N4O2
• Molecular Weight: 806.93 g/mol
• Exact Mass: 806.27
• IUPAC Name: 9-[4-[3-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]carbazole
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3c(-c4ccc5oc6ccccc6c5c4)cccc3-c3cc(-n4c5ccccc5c5ccccc54)cc4c3oc3ccccc34)n2)cc1
• InChI: InChI=1S/C57H34N4O2/c1-3-16-35(17-4-1)55-58-56(36-18-5-2-6-19-36)60-57(59-55)53-39(37-30-31-52-45(32-37)42-22-9-13-28-50(42)62-52)24-15-25-44(53)47-34-38(33-46-43-23-10-14-29-51(43)63-54(46)47)61-48-26-11-7-20-40(48)41-21-8-12-27-49(41)61/h1-34H
• InChIKey: LKSAWIJUYBVUKE-UHFFFAOYSA-N
• XLogP: 15.10
• TPSA: 69.88 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	806.93
LogP ≤ 5	15.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 9-[4-[3-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]carbazole (CID 170228474) is 9-[4-[3-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]carbazole.

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

The canonical SMILES for 9-[4-[3-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3c(-c4ccc5oc6ccccc6c5c4)cccc3-c3cc(-n4c5ccccc5c5ccccc54)cc4c3oc3ccccc34)n2)cc1.

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

The InChIKey is LKSAWIJUYBVUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H34N4O2/c1-3-16-35(17-4-1)55-58-56(36-18-5-2-6-19-36)60-57(59-55)53-39(37-30-31-52-45(32-37)42-22-9-13-28-50(42)62-52)24-15-25-44(53)47-34-38(33-46-43-23-10-14-29-51(43)63-54(46)47)61-48-26-11-7-20-40(48)41-21-8-12-27-49(41)61/h1-34H.

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

9-[4-[3-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]carbazole has a molecular weight of 806.93 g/mol, XLogP of 15.10, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-[3-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]carbazole is sourced from PubChem (CID 170228474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).