2-dibenzofuran-2-yl-4-phenyl-6-[7-[3-(3-triphenylen-2-ylphenyl)phenyl]dibenzothiophen-3-yl]-1,3,5-triazine

C63H37N3OS — CID 154624493

About 2-dibenzofuran-2-yl-4-phenyl-6-[7-[3-(3-triphenylen-2-ylphenyl)phenyl]dibenzothiophen-3-yl]-1,3,5-triazine

2-dibenzofuran-2-yl-4-phenyl-6-[7-[3-(3-triphenylen-2-ylphenyl)phenyl]dibenzothiophen-3-yl]-1,3,5-triazine (PubChem CID 154624493) has the molecular formula C63H37N3OS and a molecular weight of 884.08 g/mol. Its IUPAC name is 2-dibenzofuran-2-yl-4-phenyl-6-[7-[3-(3-triphenylen-2-ylphenyl)phenyl]dibenzothiophen-3-yl]-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-dibenzofuran-2-yl-4-phenyl-6-[7-[3-(3-triphenylen-2-ylphenyl)phenyl]dibenzothiophen-3-yl]-1,3,5-triazine
• PubChem CID: 154624493
• Molecular Formula: C63H37N3OS
• Molecular Weight: 884.08 g/mol
• Exact Mass: 883.27
• IUPAC Name: 2-dibenzofuran-2-yl-4-phenyl-6-[7-[3-(3-triphenylen-2-ylphenyl)phenyl]dibenzothiophen-3-yl]-1,3,5-triazine
• SMILES: c1ccc(-c2nc(-c3ccc4c(c3)sc3cc(-c5cccc(-c6cccc(-c7ccc8c9ccccc9c9ccccc9c8c7)c6)c5)ccc34)nc(-c3ccc4oc5ccccc5c4c3)n2)cc1
• InChI: InChI=1S/C63H37N3OS/c1-2-12-38(13-3-1)61-64-62(45-27-31-58-56(35-45)52-22-8-9-23-57(52)67-58)66-63(65-61)46-26-30-54-53-29-25-44(36-59(53)68-60(54)37-46)42-17-11-15-40(33-42)39-14-10-16-41(32-39)43-24-28-51-49-20-5-4-18-47(49)48-19-6-7-21-50(48)55(51)34-43/h1-37H
• InChIKey: YVWHWRBXQNETPQ-UHFFFAOYSA-N
• XLogP: 17.60
• TPSA: 51.81 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	884.08
LogP ≤ 5	17.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-2-yl-4-phenyl-6-[7-[3-(3-triphenylen-2-ylphenyl)phenyl]dibenzothiophen-3-yl]-1,3,5-triazine?

The IUPAC name of 2-dibenzofuran-2-yl-4-phenyl-6-[7-[3-(3-triphenylen-2-ylphenyl)phenyl]dibenzothiophen-3-yl]-1,3,5-triazine (CID 154624493) is 2-dibenzofuran-2-yl-4-phenyl-6-[7-[3-(3-triphenylen-2-ylphenyl)phenyl]dibenzothiophen-3-yl]-1,3,5-triazine.

What is the SMILES notation for 2-dibenzofuran-2-yl-4-phenyl-6-[7-[3-(3-triphenylen-2-ylphenyl)phenyl]dibenzothiophen-3-yl]-1,3,5-triazine?

The canonical SMILES for 2-dibenzofuran-2-yl-4-phenyl-6-[7-[3-(3-triphenylen-2-ylphenyl)phenyl]dibenzothiophen-3-yl]-1,3,5-triazine is c1ccc(-c2nc(-c3ccc4c(c3)sc3cc(-c5cccc(-c6cccc(-c7ccc8c9ccccc9c9ccccc9c8c7)c6)c5)ccc34)nc(-c3ccc4oc5ccccc5c4c3)n2)cc1.

What is the InChIKey of 2-dibenzofuran-2-yl-4-phenyl-6-[7-[3-(3-triphenylen-2-ylphenyl)phenyl]dibenzothiophen-3-yl]-1,3,5-triazine?

The InChIKey is YVWHWRBXQNETPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H37N3OS/c1-2-12-38(13-3-1)61-64-62(45-27-31-58-56(35-45)52-22-8-9-23-57(52)67-58)66-63(65-61)46-26-30-54-53-29-25-44(36-59(53)68-60(54)37-46)42-17-11-15-40(33-42)39-14-10-16-41(32-39)43-24-28-51-49-20-5-4-18-47(49)48-19-6-7-21-50(48)55(51)34-43/h1-37H.

What are the key properties of 2-dibenzofuran-2-yl-4-phenyl-6-[7-[3-(3-triphenylen-2-ylphenyl)phenyl]dibenzothiophen-3-yl]-1,3,5-triazine?

2-dibenzofuran-2-yl-4-phenyl-6-[7-[3-(3-triphenylen-2-ylphenyl)phenyl]dibenzothiophen-3-yl]-1,3,5-triazine has a molecular weight of 884.08 g/mol, XLogP of 17.60, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-dibenzofuran-2-yl-4-phenyl-6-[7-[3-(3-triphenylen-2-ylphenyl)phenyl]dibenzothiophen-3-yl]-1,3,5-triazine is sourced from PubChem (CID 154624493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).