2,4-diphenyl-6-[8-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-10-yl]-1,3,5-triazine

C52H32N6O — CID 171757132

About 2,4-diphenyl-6-[8-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-10-yl]-1,3,5-triazine

2,4-diphenyl-6-[8-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-10-yl]-1,3,5-triazine (PubChem CID 171757132) has the molecular formula C52H32N6O and a molecular weight of 756.87 g/mol. Its IUPAC name is 2,4-diphenyl-6-[8-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-10-yl]-1,3,5-triazine.

Molecular Properties

• Compound Name: 2,4-diphenyl-6-[8-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-10-yl]-1,3,5-triazine
• PubChem CID: 171757132
• Molecular Formula: C52H32N6O
• Molecular Weight: 756.87 g/mol
• Exact Mass: 756.26
• IUPAC Name: 2,4-diphenyl-6-[8-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-10-yl]-1,3,5-triazine
• SMILES: c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c5oc6c7ccccc7ccc6c5c4)n3)cc2)cc1
• InChI: InChI=1S/C52H32N6O/c1-5-15-33(16-6-1)34-25-27-39(28-26-34)50-53-47(36-18-7-2-8-19-36)55-51(56-50)40-31-43-42-30-29-35-17-13-14-24-41(35)45(42)59-46(43)44(32-40)52-57-48(37-20-9-3-10-21-37)54-49(58-52)38-22-11-4-12-23-38/h1-32H
• InChIKey: LXCVIXRUOYVVQP-UHFFFAOYSA-N
• XLogP: 12.78
• TPSA: 90.48 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	756.87
LogP ≤ 5	12.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[8-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-10-yl]-1,3,5-triazine?

The IUPAC name of 2,4-diphenyl-6-[8-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-10-yl]-1,3,5-triazine (CID 171757132) is 2,4-diphenyl-6-[8-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-10-yl]-1,3,5-triazine.

What is the SMILES notation for 2,4-diphenyl-6-[8-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-10-yl]-1,3,5-triazine?

The canonical SMILES for 2,4-diphenyl-6-[8-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-10-yl]-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c5oc6c7ccccc7ccc6c5c4)n3)cc2)cc1.

What is the InChIKey of 2,4-diphenyl-6-[8-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-10-yl]-1,3,5-triazine?

The InChIKey is LXCVIXRUOYVVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N6O/c1-5-15-33(16-6-1)34-25-27-39(28-26-34)50-53-47(36-18-7-2-8-19-36)55-51(56-50)40-31-43-42-30-29-35-17-13-14-24-41(35)45(42)59-46(43)44(32-40)52-57-48(37-20-9-3-10-21-37)54-49(58-52)38-22-11-4-12-23-38/h1-32H.

What are the key properties of 2,4-diphenyl-6-[8-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-10-yl]-1,3,5-triazine?

2,4-diphenyl-6-[8-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-10-yl]-1,3,5-triazine has a molecular weight of 756.87 g/mol, XLogP of 12.78, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-diphenyl-6-[8-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-10-yl]-1,3,5-triazine is sourced from PubChem (CID 171757132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).