2-dibenzothiophen-4-yl-4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine

C48H28N6OS — CID 167346712

About 2-dibenzothiophen-4-yl-4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine

2-dibenzothiophen-4-yl-4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine (PubChem CID 167346712) has the molecular formula C48H28N6OS and a molecular weight of 736.86 g/mol. Its IUPAC name is 2-dibenzothiophen-4-yl-4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-dibenzothiophen-4-yl-4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine
• PubChem CID: 167346712
• Molecular Formula: C48H28N6OS
• Molecular Weight: 736.86 g/mol
• Exact Mass: 736.20
• IUPAC Name: 2-dibenzothiophen-4-yl-4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4oc5cc(-c6nc(-c7ccccc7)nc(-c7cccc8c7sc7ccccc78)n6)ccc5c4c3)n2)cc1
• InChI: InChI=1S/C48H28N6OS/c1-4-13-29(14-5-1)43-49-44(30-15-6-2-7-16-30)51-46(50-43)32-24-26-39-38(27-32)34-25-23-33(28-40(34)55-39)47-52-45(31-17-8-3-9-18-31)53-48(54-47)37-21-12-20-36-35-19-10-11-22-41(35)56-42(36)37/h1-28H
• InChIKey: WMJJNIWPGBEVEK-UHFFFAOYSA-N
• XLogP: 12.33
• TPSA: 90.48 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	736.86
LogP ≤ 5	12.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-4-yl-4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine?

The IUPAC name of 2-dibenzothiophen-4-yl-4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine (CID 167346712) is 2-dibenzothiophen-4-yl-4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine.

What is the SMILES notation for 2-dibenzothiophen-4-yl-4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine?

The canonical SMILES for 2-dibenzothiophen-4-yl-4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4oc5cc(-c6nc(-c7ccccc7)nc(-c7cccc8c7sc7ccccc78)n6)ccc5c4c3)n2)cc1.

What is the InChIKey of 2-dibenzothiophen-4-yl-4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine?

The InChIKey is WMJJNIWPGBEVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28N6OS/c1-4-13-29(14-5-1)43-49-44(30-15-6-2-7-16-30)51-46(50-43)32-24-26-39-38(27-32)34-25-23-33(28-40(34)55-39)47-52-45(31-17-8-3-9-18-31)53-48(54-47)37-21-12-20-36-35-19-10-11-22-41(35)56-42(36)37/h1-28H.

What are the key properties of 2-dibenzothiophen-4-yl-4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine?

2-dibenzothiophen-4-yl-4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine has a molecular weight of 736.86 g/mol, XLogP of 12.33, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-dibenzothiophen-4-yl-4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 167346712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).