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

C57H34N4O2 — CID 170228295

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

9-[4-[2-[4-dibenzofuran-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzofuran-2-yl]carbazole (PubChem CID 170228295) has the molecular formula C57H34N4O2 and a molecular weight of 806.92 g/mol. Its IUPAC name is 9-[4-[2-[4-dibenzofuran-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzofuran-2-yl]carbazole.

Molecular Properties

• Compound Name: 9-[4-[2-[4-dibenzofuran-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzofuran-2-yl]carbazole
• PubChem CID: 170228295
• Molecular Formula: C57H34N4O2
• Molecular Weight: 806.92 g/mol
• Exact Mass: 806.27
• IUPAC Name: 9-[4-[2-[4-dibenzofuran-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzofuran-2-yl]carbazole
• SMILES: c1ccc(-c2cccc(-c3nc(-c4ccccc4-c4cc(-n5c6ccccc6c6ccccc65)cc5c4oc4ccccc45)nc(-c4cccc5c4oc4ccccc45)n3)c2)cc1
• InChI: InChI=1S/C57H34N4O2/c1-2-16-35(17-3-1)36-18-14-19-37(32-36)55-58-56(60-57(59-55)46-27-15-26-44-42-23-8-12-30-51(42)62-53(44)46)45-25-5-4-20-39(45)47-33-38(34-48-43-24-9-13-31-52(43)63-54(47)48)61-49-28-10-6-21-40(49)41-22-7-11-29-50(41)61/h1-34H
• InChIKey: ZNZMYLAVDWZIIA-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	806.92
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-[2-[4-dibenzofuran-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzofuran-2-yl]carbazole?

The IUPAC name of 9-[4-[2-[4-dibenzofuran-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzofuran-2-yl]carbazole (CID 170228295) is 9-[4-[2-[4-dibenzofuran-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzofuran-2-yl]carbazole.

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

The canonical SMILES for 9-[4-[2-[4-dibenzofuran-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzofuran-2-yl]carbazole is c1ccc(-c2cccc(-c3nc(-c4ccccc4-c4cc(-n5c6ccccc6c6ccccc65)cc5c4oc4ccccc45)nc(-c4cccc5c4oc4ccccc45)n3)c2)cc1.

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

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

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

9-[4-[2-[4-dibenzofuran-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzofuran-2-yl]carbazole has a molecular weight of 806.92 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-[2-[4-dibenzofuran-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzofuran-2-yl]carbazole is sourced from PubChem (CID 170228295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).