5-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-2-(4-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazole

C54H32N4O2 — CID 167127620

About 5-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-2-(4-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazole

5-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-2-(4-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazole (PubChem CID 167127620) has the molecular formula C54H32N4O2 and a molecular weight of 768.88 g/mol. Its IUPAC name is 5-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-2-(4-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazole.

Molecular Properties

• Compound Name: 5-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-2-(4-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazole
• PubChem CID: 167127620
• Molecular Formula: C54H32N4O2
• Molecular Weight: 768.88 g/mol
• Exact Mass: 768.25
• IUPAC Name: 5-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-2-(4-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazole
• SMILES: c1ccc(-c2ccc(-c3nc4cc5oc6cccc(-c7cc(-c8nc(-c9ccccc9)nc(-c9ccc%10ccccc%10c9)n8)cc8ccccc78)c6c5cc4o3)cc2)cc1
• InChI: InChI=1S/C54H32N4O2/c1-3-12-33(13-4-1)35-22-25-37(26-23-35)54-55-46-32-48-45(31-49(46)60-54)50-43(20-11-21-47(50)59-48)44-30-41(29-39-18-9-10-19-42(39)44)53-57-51(36-15-5-2-6-16-36)56-52(58-53)40-27-24-34-14-7-8-17-38(34)28-40/h1-32H
• InChIKey: LMXXJJXIJORTRC-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 5-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-2-(4-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazole?

The IUPAC name of 5-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-2-(4-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazole (CID 167127620) is 5-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-2-(4-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazole.

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

The canonical SMILES for 5-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-2-(4-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazole is c1ccc(-c2ccc(-c3nc4cc5oc6cccc(-c7cc(-c8nc(-c9ccccc9)nc(-c9ccc%10ccccc%10c9)n8)cc8ccccc78)c6c5cc4o3)cc2)cc1.

What is the InChIKey of 5-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-2-(4-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazole?

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

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

5-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-2-(4-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazole 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 5-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-2-(4-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazole is sourced from PubChem (CID 167127620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).