3-dibenzofuran-4-yl-6-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline

C54H32N4O2 — CID 159553913

About 3-dibenzofuran-4-yl-6-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline

3-dibenzofuran-4-yl-6-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline (PubChem CID 159553913) has the molecular formula C54H32N4O2 and a molecular weight of 768.88 g/mol. Its IUPAC name is 3-dibenzofuran-4-yl-6-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline.

Molecular Properties

• Compound Name: 3-dibenzofuran-4-yl-6-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline
• PubChem CID: 159553913
• Molecular Formula: C54H32N4O2
• Molecular Weight: 768.88 g/mol
• Exact Mass: 768.25
• IUPAC Name: 3-dibenzofuran-4-yl-6-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline
• SMILES: c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5nc6cc(-c7cccc8c7oc7ccccc78)ccc6c6oc7ccccc7c56)cc4)n3)cc2)cc1
• InChI: InChI=1S/C54H32N4O2/c1-3-12-33(13-4-1)34-22-26-37(27-23-34)53-56-52(36-14-5-2-6-15-36)57-54(58-53)38-28-24-35(25-29-38)49-48-44-17-8-10-21-47(44)60-51(48)43-31-30-39(32-45(43)55-49)40-18-11-19-42-41-16-7-9-20-46(41)59-50(40)42/h1-32H
• InChIKey: IRTHSZUBJNTENR-UHFFFAOYSA-N
• XLogP: 14.22
• TPSA: 77.84 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	768.88
LogP ≤ 5	14.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-4-yl-6-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline?

The IUPAC name of 3-dibenzofuran-4-yl-6-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline (CID 159553913) is 3-dibenzofuran-4-yl-6-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline.

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

The canonical SMILES for 3-dibenzofuran-4-yl-6-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5nc6cc(-c7cccc8c7oc7ccccc78)ccc6c6oc7ccccc7c56)cc4)n3)cc2)cc1.

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

The InChIKey is IRTHSZUBJNTENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32N4O2/c1-3-12-33(13-4-1)34-22-26-37(27-23-34)53-56-52(36-14-5-2-6-15-36)57-54(58-53)38-28-24-35(25-29-38)49-48-44-17-8-10-21-47(44)60-51(48)43-31-30-39(32-45(43)55-49)40-18-11-19-42-41-16-7-9-20-46(41)59-50(40)42/h1-32H.

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

3-dibenzofuran-4-yl-6-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline has a molecular weight of 768.88 g/mol, XLogP of 14.22, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-dibenzofuran-4-yl-6-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline is sourced from PubChem (CID 159553913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).