9-[8-[1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]dibenzofuran-1-yl]-3-phenylcarbazole

C63H38N4O2 — CID 166744441

About 9-[8-[1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]dibenzofuran-1-yl]-3-phenylcarbazole

9-[8-[1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]dibenzofuran-1-yl]-3-phenylcarbazole (PubChem CID 166744441) has the molecular formula C63H38N4O2 and a molecular weight of 883.02 g/mol. Its IUPAC name is 9-[8-[1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]dibenzofuran-1-yl]-3-phenylcarbazole.

Molecular Properties

• Compound Name: 9-[8-[1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]dibenzofuran-1-yl]-3-phenylcarbazole
• PubChem CID: 166744441
• Molecular Formula: C63H38N4O2
• Molecular Weight: 883.02 g/mol
• Exact Mass: 882.30
• IUPAC Name: 9-[8-[1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]dibenzofuran-1-yl]-3-phenylcarbazole
• SMILES: c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cccc3oc4ccc(-c5ccc(-c6cccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6)c6c5oc5ccccc56)cc4c23)cc1
• InChI: InChI=1S/C63H38N4O2/c1-4-16-39(17-5-1)42-30-34-53-50(37-42)48-24-10-12-26-52(48)67(53)54-27-15-29-57-59(54)51-38-44(31-35-56(51)68-57)47-33-32-46(58-49-25-11-13-28-55(49)69-60(47)58)43-22-14-23-45(36-43)63-65-61(40-18-6-2-7-19-40)64-62(66-63)41-20-8-3-9-21-41/h1-38H
• InChIKey: FUJLKVFJNVGEQX-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 9-[8-[1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]dibenzofuran-1-yl]-3-phenylcarbazole?

The IUPAC name of 9-[8-[1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]dibenzofuran-1-yl]-3-phenylcarbazole (CID 166744441) is 9-[8-[1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]dibenzofuran-1-yl]-3-phenylcarbazole.

What is the SMILES notation for 9-[8-[1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]dibenzofuran-1-yl]-3-phenylcarbazole?

The canonical SMILES for 9-[8-[1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]dibenzofuran-1-yl]-3-phenylcarbazole is c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cccc3oc4ccc(-c5ccc(-c6cccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6)c6c5oc5ccccc56)cc4c23)cc1.

What is the InChIKey of 9-[8-[1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]dibenzofuran-1-yl]-3-phenylcarbazole?

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

What are the key properties of 9-[8-[1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]dibenzofuran-1-yl]-3-phenylcarbazole?

9-[8-[1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]dibenzofuran-1-yl]-3-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 9-[8-[1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]dibenzofuran-1-yl]-3-phenylcarbazole is sourced from PubChem (CID 166744441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).