1-[7-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-6,9-diphenylcarbazole

C57H34N4O2 — CID 159616127

About 1-[7-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-6,9-diphenylcarbazole

1-[7-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-6,9-diphenylcarbazole (PubChem CID 159616127) has the molecular formula C57H34N4O2 and a molecular weight of 806.93 g/mol. Its IUPAC name is 1-[7-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-6,9-diphenylcarbazole.

Molecular Properties

• Compound Name: 1-[7-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-6,9-diphenylcarbazole
• PubChem CID: 159616127
• Molecular Formula: C57H34N4O2
• Molecular Weight: 806.93 g/mol
• Exact Mass: 806.27
• IUPAC Name: 1-[7-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-6,9-diphenylcarbazole
• SMILES: c1ccc(-c2ccc3c(c2)c2cccc(-c4ccc5c(c4)oc4cc(-c6nc(-c7ccccc7)nc(-c7cccc8c7oc7ccccc78)n6)ccc45)c2n3-c2ccccc2)cc1
• InChI: InChI=1S/C57H34N4O2/c1-4-14-35(15-5-1)37-28-31-49-48(32-37)45-22-12-21-41(53(45)61(49)40-18-8-3-9-19-40)38-26-29-43-44-30-27-39(34-52(44)62-51(43)33-38)56-58-55(36-16-6-2-7-17-36)59-57(60-56)47-24-13-23-46-42-20-10-11-25-50(42)63-54(46)47/h1-34H
• InChIKey: MNHQVRQBTSHDIE-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 1-[7-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-6,9-diphenylcarbazole?

The IUPAC name of 1-[7-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-6,9-diphenylcarbazole (CID 159616127) is 1-[7-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-6,9-diphenylcarbazole.

What is the SMILES notation for 1-[7-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-6,9-diphenylcarbazole?

The canonical SMILES for 1-[7-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-6,9-diphenylcarbazole is c1ccc(-c2ccc3c(c2)c2cccc(-c4ccc5c(c4)oc4cc(-c6nc(-c7ccccc7)nc(-c7cccc8c7oc7ccccc78)n6)ccc45)c2n3-c2ccccc2)cc1.

What is the InChIKey of 1-[7-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-6,9-diphenylcarbazole?

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

What are the key properties of 1-[7-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-6,9-diphenylcarbazole?

1-[7-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-6,9-diphenylcarbazole 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 1-[7-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-6,9-diphenylcarbazole is sourced from PubChem (CID 159616127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).