9-[8-[7-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]dibenzofuran-4-yl]carbazole

C51H32N4O2 — CID 163688417

About 9-[8-[7-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]dibenzofuran-4-yl]carbazole

9-[8-[7-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]dibenzofuran-4-yl]carbazole (PubChem CID 163688417) has the molecular formula C51H32N4O2 and a molecular weight of 732.84 g/mol. Its IUPAC name is 9-[8-[7-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]dibenzofuran-4-yl]carbazole.

Molecular Properties

• Compound Name: 9-[8-[7-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]dibenzofuran-4-yl]carbazole
• PubChem CID: 163688417
• Molecular Formula: C51H32N4O2
• Molecular Weight: 732.84 g/mol
• Exact Mass: 732.25
• IUPAC Name: 9-[8-[7-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]dibenzofuran-4-yl]carbazole
• SMILES: C1=CC(c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3c(-c5ccc6oc7c(-n8c9ccccc9c9ccccc98)cccc7c6c5)cccc34)n2)=CCC1
• InChI: InChI=1S/C51H32N4O2/c1-3-13-31(14-4-1)49-52-50(32-15-5-2-6-16-32)54-51(53-49)34-25-27-38-39-20-11-19-35(47(39)57-46(38)30-34)33-26-28-45-41(29-33)40-21-12-24-44(48(40)56-45)55-42-22-9-7-17-36(42)37-18-8-10-23-43(37)55/h1,3-5,7-30H,2,6H2
• InChIKey: JQXGFSQITWFXIT-UHFFFAOYSA-N
• XLogP: 13.50
• TPSA: 69.88 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	732.84
LogP ≤ 5	13.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 9-[8-[7-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]dibenzofuran-4-yl]carbazole?

The IUPAC name of 9-[8-[7-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]dibenzofuran-4-yl]carbazole (CID 163688417) is 9-[8-[7-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]dibenzofuran-4-yl]carbazole.

What is the SMILES notation for 9-[8-[7-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]dibenzofuran-4-yl]carbazole?

The canonical SMILES for 9-[8-[7-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]dibenzofuran-4-yl]carbazole is C1=CC(c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3c(-c5ccc6oc7c(-n8c9ccccc9c9ccccc98)cccc7c6c5)cccc34)n2)=CCC1.

What is the InChIKey of 9-[8-[7-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]dibenzofuran-4-yl]carbazole?

The InChIKey is JQXGFSQITWFXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N4O2/c1-3-13-31(14-4-1)49-52-50(32-15-5-2-6-16-32)54-51(53-49)34-25-27-38-39-20-11-19-35(47(39)57-46(38)30-34)33-26-28-45-41(29-33)40-21-12-24-44(48(40)56-45)55-42-22-9-7-17-36(42)37-18-8-10-23-43(37)55/h1,3-5,7-30H,2,6H2.

What are the key properties of 9-[8-[7-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]dibenzofuran-4-yl]carbazole?

9-[8-[7-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]dibenzofuran-4-yl]carbazole has a molecular weight of 732.84 g/mol, XLogP of 13.50, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[8-[7-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]dibenzofuran-4-yl]carbazole is sourced from PubChem (CID 163688417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).