6-[6-(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 167129061

About 6-[6-(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

6-[6-(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 167129061) has the molecular formula C54H32N4O2 and a molecular weight of 768.88 g/mol. Its IUPAC name is 6-[6-(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: 6-[6-(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: 167129061
• Molecular Formula: C54H32N4O2
• Molecular Weight: 768.88 g/mol
• Exact Mass: 768.25
• IUPAC Name: 6-[6-(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(-c3nc4cc5oc6ccc(-c7cccc8cc(-c9nc(-c%10ccccc%10)nc(-c%10ccc%11ccccc%11c%10)n9)ccc78)cc6c5cc4o3)cc2)cc1
• InChI: InChI=1S/C54H32N4O2/c1-3-10-33(11-4-1)35-18-21-37(22-19-35)54-55-47-32-49-46(31-50(47)60-54)45-30-40(25-27-48(45)59-49)43-17-9-16-39-29-42(24-26-44(39)43)53-57-51(36-13-5-2-6-14-36)56-52(58-53)41-23-20-34-12-7-8-15-38(34)28-41/h1-32H
• InChIKey: XQHMLFXMBNJFJP-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 6-[6-(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 6-[6-(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 167129061) is 6-[6-(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 6-[6-(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 6-[6-(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(-c3nc4cc5oc6ccc(-c7cccc8cc(-c9nc(-c%10ccccc%10)nc(-c%10ccc%11ccccc%11c%10)n9)ccc78)cc6c5cc4o3)cc2)cc1.

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

What are the key properties of 6-[6-(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?

6-[6-(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 6-[6-(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 167129061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).