2-[6-[dibenzofuran-4-yl(phenyl)methyl]dibenzofuran-1-yl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine

C50H31N3O2 — CID 176818396

About 2-[6-[dibenzofuran-4-yl(phenyl)methyl]dibenzofuran-1-yl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine

2-[6-[dibenzofuran-4-yl(phenyl)methyl]dibenzofuran-1-yl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine (PubChem CID 176818396) has the molecular formula C50H31N3O2 and a molecular weight of 705.82 g/mol. Its IUPAC name is 2-[6-[dibenzofuran-4-yl(phenyl)methyl]dibenzofuran-1-yl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-[6-[dibenzofuran-4-yl(phenyl)methyl]dibenzofuran-1-yl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
• PubChem CID: 176818396
• Molecular Formula: C50H31N3O2
• Molecular Weight: 705.82 g/mol
• Exact Mass: 705.24
• IUPAC Name: 2-[6-[dibenzofuran-4-yl(phenyl)methyl]dibenzofuran-1-yl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
• SMILES: c1ccc(-c2nc(-c3cccc4ccccc34)nc(-c3cccc4oc5c(C(c6ccccc6)c6cccc7c6oc6ccccc67)cccc5c34)n2)cc1
• InChI: InChI=1S/C50H31N3O2/c1-3-16-32(17-4-1)44(38-25-12-23-36-35-22-9-10-29-42(35)54-46(36)38)39-26-13-27-40-45-41(28-14-30-43(45)55-47(39)40)50-52-48(33-18-5-2-6-19-33)51-49(53-50)37-24-11-20-31-15-7-8-21-34(31)37/h1-30,44H
• InChIKey: BVULRFOCUACUAW-UHFFFAOYSA-N
• XLogP: 13.00
• TPSA: 64.95 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	705.82
LogP ≤ 5	13.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[6-[dibenzofuran-4-yl(phenyl)methyl]dibenzofuran-1-yl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine?

The IUPAC name of 2-[6-[dibenzofuran-4-yl(phenyl)methyl]dibenzofuran-1-yl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine (CID 176818396) is 2-[6-[dibenzofuran-4-yl(phenyl)methyl]dibenzofuran-1-yl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine.

What is the SMILES notation for 2-[6-[dibenzofuran-4-yl(phenyl)methyl]dibenzofuran-1-yl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine?

The canonical SMILES for 2-[6-[dibenzofuran-4-yl(phenyl)methyl]dibenzofuran-1-yl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine is c1ccc(-c2nc(-c3cccc4ccccc34)nc(-c3cccc4oc5c(C(c6ccccc6)c6cccc7c6oc6ccccc67)cccc5c34)n2)cc1.

What is the InChIKey of 2-[6-[dibenzofuran-4-yl(phenyl)methyl]dibenzofuran-1-yl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine?

The InChIKey is BVULRFOCUACUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31N3O2/c1-3-16-32(17-4-1)44(38-25-12-23-36-35-22-9-10-29-42(35)54-46(36)38)39-26-13-27-40-45-41(28-14-30-43(45)55-47(39)40)50-52-48(33-18-5-2-6-19-33)51-49(53-50)37-24-11-20-31-15-7-8-21-34(31)37/h1-30,44H.

What are the key properties of 2-[6-[dibenzofuran-4-yl(phenyl)methyl]dibenzofuran-1-yl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine?

2-[6-[dibenzofuran-4-yl(phenyl)methyl]dibenzofuran-1-yl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine has a molecular weight of 705.82 g/mol, XLogP of 13.00, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[dibenzofuran-4-yl(phenyl)methyl]dibenzofuran-1-yl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 176818396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).