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

C63H38N4O2 — CID 129292083

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

3-dibenzofuran-1-yl-6-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]-9-phenylcarbazole (PubChem CID 129292083) has the molecular formula C63H38N4O2 and a molecular weight of 883.02 g/mol. Its IUPAC name is 3-dibenzofuran-1-yl-6-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]-9-phenylcarbazole.

Molecular Properties

• Compound Name: 3-dibenzofuran-1-yl-6-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]-9-phenylcarbazole
• PubChem CID: 129292083
• Molecular Formula: C63H38N4O2
• Molecular Weight: 883.02 g/mol
• Exact Mass: 882.30
• IUPAC Name: 3-dibenzofuran-1-yl-6-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]-9-phenylcarbazole
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc5oc6ccc(-c7ccc8c(c7)c7cc(-c9cccc%10oc%11ccccc%11c9%10)ccc7n8-c7ccccc7)cc6c45)c3)n2)cc1
• InChI: InChI=1S/C63H38N4O2/c1-4-15-39(16-5-1)61-64-62(40-17-6-2-7-18-40)66-63(65-61)45-20-12-19-43(35-45)47-24-13-28-58-60(47)52-37-42(31-34-56(52)69-58)41-29-32-53-50(36-41)51-38-44(30-33-54(51)67(53)46-21-8-3-9-22-46)48-25-14-27-57-59(48)49-23-10-11-26-55(49)68-57/h1-38H
• InChIKey: GBDUOYGQZFCDAN-UHFFFAOYSA-N
• XLogP: 16.77
• TPSA: 69.88 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	883.02
LogP ≤ 5	16.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3-dibenzofuran-1-yl-6-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]-9-phenylcarbazole (CID 129292083) is 3-dibenzofuran-1-yl-6-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]-9-phenylcarbazole.

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

The canonical SMILES for 3-dibenzofuran-1-yl-6-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]-9-phenylcarbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc5oc6ccc(-c7ccc8c(c7)c7cc(-c9cccc%10oc%11ccccc%11c9%10)ccc7n8-c7ccccc7)cc6c45)c3)n2)cc1.

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

The InChIKey is GBDUOYGQZFCDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H38N4O2/c1-4-15-39(16-5-1)61-64-62(40-17-6-2-7-18-40)66-63(65-61)45-20-12-19-43(35-45)47-24-13-28-58-60(47)52-37-42(31-34-56(52)69-58)41-29-32-53-50(36-41)51-38-44(30-33-54(51)67(53)46-21-8-3-9-22-46)48-25-14-27-57-59(48)49-23-10-11-26-55(49)68-57/h1-38H.

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

3-dibenzofuran-1-yl-6-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]-9-phenylcarbazole has a molecular weight of 883.02 g/mol, XLogP of 16.77, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-dibenzofuran-1-yl-6-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]-9-phenylcarbazole is sourced from PubChem (CID 129292083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).