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

C51H32N4O — CID 122501692

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

3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-6,9-diphenylcarbazole (PubChem CID 122501692) has the molecular formula C51H32N4O and a molecular weight of 716.84 g/mol. Its IUPAC name is 3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-6,9-diphenylcarbazole.

Molecular Properties

• Compound Name: 3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-6,9-diphenylcarbazole
• PubChem CID: 122501692
• Molecular Formula: C51H32N4O
• Molecular Weight: 716.84 g/mol
• Exact Mass: 716.26
• IUPAC Name: 3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-6,9-diphenylcarbazole
• SMILES: c1ccc(-c2ccc3c(c2)c2cc(-c4cccc5c4oc4cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)ccc45)ccc2n3-c2ccccc2)cc1
• InChI: InChI=1S/C51H32N4O/c1-5-14-33(15-6-1)36-25-28-45-43(30-36)44-31-37(26-29-46(44)55(45)39-20-11-4-12-21-39)40-22-13-23-42-41-27-24-38(32-47(41)56-48(40)42)51-53-49(34-16-7-2-8-17-34)52-50(54-51)35-18-9-3-10-19-35/h1-32H
• InChIKey: YCHIYFRDYLESKI-UHFFFAOYSA-N
• XLogP: 13.20
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	716.84
LogP ≤ 5	13.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-6,9-diphenylcarbazole (CID 122501692) is 3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-6,9-diphenylcarbazole.

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

The canonical SMILES for 3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-6,9-diphenylcarbazole is c1ccc(-c2ccc3c(c2)c2cc(-c4cccc5c4oc4cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)ccc45)ccc2n3-c2ccccc2)cc1.

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

The InChIKey is YCHIYFRDYLESKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N4O/c1-5-14-33(15-6-1)36-25-28-45-43(30-36)44-31-37(26-29-46(44)55(45)39-20-11-4-12-21-39)40-22-13-23-42-41-27-24-38(32-47(41)56-48(40)42)51-53-49(34-16-7-2-8-17-34)52-50(54-51)35-18-9-3-10-19-35/h1-32H.

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

3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-6,9-diphenylcarbazole has a molecular weight of 716.84 g/mol, XLogP of 13.20, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-6,9-diphenylcarbazole is sourced from PubChem (CID 122501692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).