2-dibenzofuran-2-yl-4-naphthalen-1-yl-6-(3-tritylphenyl)-1,3,5-triazine

C50H33N3O — CID 166569923

About 2-dibenzofuran-2-yl-4-naphthalen-1-yl-6-(3-tritylphenyl)-1,3,5-triazine

2-dibenzofuran-2-yl-4-naphthalen-1-yl-6-(3-tritylphenyl)-1,3,5-triazine (PubChem CID 166569923) has the molecular formula C50H33N3O and a molecular weight of 691.83 g/mol. Its IUPAC name is 2-dibenzofuran-2-yl-4-naphthalen-1-yl-6-(3-tritylphenyl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-dibenzofuran-2-yl-4-naphthalen-1-yl-6-(3-tritylphenyl)-1,3,5-triazine
• PubChem CID: 166569923
• Molecular Formula: C50H33N3O
• Molecular Weight: 691.83 g/mol
• Exact Mass: 691.26
• IUPAC Name: 2-dibenzofuran-2-yl-4-naphthalen-1-yl-6-(3-tritylphenyl)-1,3,5-triazine
• SMILES: c1ccc(C(c2ccccc2)(c2ccccc2)c2cccc(-c3nc(-c4ccc5oc6ccccc6c5c4)nc(-c4cccc5ccccc45)n3)c2)cc1
• InChI: InChI=1S/C50H33N3O/c1-4-19-37(20-5-1)50(38-21-6-2-7-22-38,39-23-8-3-9-24-39)40-25-14-18-35(32-40)47-51-48(36-30-31-46-44(33-36)42-27-12-13-29-45(42)54-46)53-49(52-47)43-28-15-17-34-16-10-11-26-41(34)43/h1-33H
• InChIKey: MCAKHLSATVGMAD-UHFFFAOYSA-N
• XLogP: 12.31
• TPSA: 51.81 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	691.83
LogP ≤ 5	12.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 2-dibenzofuran-2-yl-4-naphthalen-1-yl-6-(3-tritylphenyl)-1,3,5-triazine (CID 166569923) is 2-dibenzofuran-2-yl-4-naphthalen-1-yl-6-(3-tritylphenyl)-1,3,5-triazine.

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

The canonical SMILES for 2-dibenzofuran-2-yl-4-naphthalen-1-yl-6-(3-tritylphenyl)-1,3,5-triazine is c1ccc(C(c2ccccc2)(c2ccccc2)c2cccc(-c3nc(-c4ccc5oc6ccccc6c5c4)nc(-c4cccc5ccccc45)n3)c2)cc1.

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

The InChIKey is MCAKHLSATVGMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33N3O/c1-4-19-37(20-5-1)50(38-21-6-2-7-22-38,39-23-8-3-9-24-39)40-25-14-18-35(32-40)47-51-48(36-30-31-46-44(33-36)42-27-12-13-29-45(42)54-46)53-49(52-47)43-28-15-17-34-16-10-11-26-41(34)43/h1-33H.

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

2-dibenzofuran-2-yl-4-naphthalen-1-yl-6-(3-tritylphenyl)-1,3,5-triazine has a molecular weight of 691.83 g/mol, XLogP of 12.31, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-dibenzofuran-2-yl-4-naphthalen-1-yl-6-(3-tritylphenyl)-1,3,5-triazine is sourced from PubChem (CID 166569923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).