2-[6-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-4-(4-phenylphenyl)-6-triphenylen-2-yl-1,3,5-triazine

C61H37N3O — CID 164808214

About 2-[6-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-4-(4-phenylphenyl)-6-triphenylen-2-yl-1,3,5-triazine

2-[6-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-4-(4-phenylphenyl)-6-triphenylen-2-yl-1,3,5-triazine (PubChem CID 164808214) has the molecular formula C61H37N3O and a molecular weight of 827.99 g/mol. Its IUPAC name is 2-[6-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-4-(4-phenylphenyl)-6-triphenylen-2-yl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-[6-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-4-(4-phenylphenyl)-6-triphenylen-2-yl-1,3,5-triazine
• PubChem CID: 164808214
• Molecular Formula: C61H37N3O
• Molecular Weight: 827.99 g/mol
• Exact Mass: 827.29
• IUPAC Name: 2-[6-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-4-(4-phenylphenyl)-6-triphenylen-2-yl-1,3,5-triazine
• SMILES: c1ccc(-c2ccc(-c3nc(-c4ccc5c6ccccc6c6ccccc6c5c4)nc(-c4cccc5oc6c(-c7ccc(-c8ccccc8)c8ccccc78)cccc6c45)n3)cc2)cc1
• InChI: InChI=1S/C61H37N3O/c1-3-15-38(16-4-1)39-29-31-41(32-30-39)59-62-60(42-33-34-51-48-23-10-9-21-46(48)47-22-11-12-24-49(47)55(51)37-42)64-61(63-59)54-27-14-28-56-57(54)53-26-13-25-52(58(53)65-56)50-36-35-43(40-17-5-2-6-18-40)44-19-7-8-20-45(44)50/h1-37H
• InChIKey: RIRLJOKJCLCYTE-UHFFFAOYSA-N
• XLogP: 16.39
• TPSA: 51.81 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	827.99
LogP ≤ 5	16.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-4-(4-phenylphenyl)-6-triphenylen-2-yl-1,3,5-triazine?

The IUPAC name of 2-[6-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-4-(4-phenylphenyl)-6-triphenylen-2-yl-1,3,5-triazine (CID 164808214) is 2-[6-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-4-(4-phenylphenyl)-6-triphenylen-2-yl-1,3,5-triazine.

What is the SMILES notation for 2-[6-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-4-(4-phenylphenyl)-6-triphenylen-2-yl-1,3,5-triazine?

The canonical SMILES for 2-[6-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-4-(4-phenylphenyl)-6-triphenylen-2-yl-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4ccc5c6ccccc6c6ccccc6c5c4)nc(-c4cccc5oc6c(-c7ccc(-c8ccccc8)c8ccccc78)cccc6c45)n3)cc2)cc1.

What is the InChIKey of 2-[6-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-4-(4-phenylphenyl)-6-triphenylen-2-yl-1,3,5-triazine?

The InChIKey is RIRLJOKJCLCYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H37N3O/c1-3-15-38(16-4-1)39-29-31-41(32-30-39)59-62-60(42-33-34-51-48-23-10-9-21-46(48)47-22-11-12-24-49(47)55(51)37-42)64-61(63-59)54-27-14-28-56-57(54)53-26-13-25-52(58(53)65-56)50-36-35-43(40-17-5-2-6-18-40)44-19-7-8-20-45(44)50/h1-37H.

What are the key properties of 2-[6-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-4-(4-phenylphenyl)-6-triphenylen-2-yl-1,3,5-triazine?

2-[6-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-4-(4-phenylphenyl)-6-triphenylen-2-yl-1,3,5-triazine has a molecular weight of 827.99 g/mol, XLogP of 16.39, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-4-(4-phenylphenyl)-6-triphenylen-2-yl-1,3,5-triazine is sourced from PubChem (CID 164808214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).