2-dibenzofuran-4-yl-4-[4-[4-(4-diphenylphosphorylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazine;2-dibenzothiophen-2-yl-4-[4-[4-(4-diphenylphosphorylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazine

C102H68N6O3P2S — CID 160893267

About 2-dibenzofuran-4-yl-4-[4-[4-(4-diphenylphosphorylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazine;2-dibenzothiophen-2-yl-4-[4-[4-(4-diphenylphosphorylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazine

2-dibenzofuran-4-yl-4-[4-[4-(4-diphenylphosphorylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazine;2-dibenzothiophen-2-yl-4-[4-[4-(4-diphenylphosphorylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazine (PubChem CID 160893267) has the molecular formula C102H68N6O3P2S and a molecular weight of 1519.72 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-4-[4-[4-(4-diphenylphosphorylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazine;2-dibenzothiophen-2-yl-4-[4-[4-(4-diphenylphosphorylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-dibenzofuran-4-yl-4-[4-[4-(4-diphenylphosphorylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazine;2-dibenzothiophen-2-yl-4-[4-[4-(4-diphenylphosphorylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazine
• PubChem CID: 160893267
• Molecular Formula: C102H68N6O3P2S
• Molecular Weight: 1519.72 g/mol
• Exact Mass: 1518.45
• IUPAC Name: 2-dibenzofuran-4-yl-4-[4-[4-(4-diphenylphosphorylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazine;2-dibenzothiophen-2-yl-4-[4-[4-(4-diphenylphosphorylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazine
• SMILES: O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccc6sc7ccccc7c6c5)n4)cc3)cc2)cc1.O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5cccc6c5oc5ccccc56)n4)cc3)cc2)cc1
• InChI: InChI=1S/C51H34N3O2P.C51H34N3OPS/c55-57(41-15-6-2-7-16-41,42-17-8-3-9-18-42)43-33-31-38(32-34-43)36-25-23-35(24-26-36)37-27-29-40(30-28-37)50-52-49(39-13-4-1-5-14-39)53-51(54-50)46-21-12-20-45-44-19-10-11-22-47(44)56-48(45)46;55-56(42-14-6-2-7-15-42,43-16-8-3-9-17-43)44-31-28-38(29-32-44)36-22-20-35(21-23-36)37-24-26-40(27-25-37)50-52-49(39-12-4-1-5-13-39)53-51(54-50)41-30-33-48-46(34-41)45-18-10-11-19-47(45)57-48/h2*1-34H
• InChIKey: SONXVYSCGCERFM-UHFFFAOYSA-N
• XLogP: 23.96
• TPSA: 124.62 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 16
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1519.72
LogP ≤ 5	23.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 2-dibenzofuran-4-yl-4-[4-[4-(4-diphenylphosphorylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazine;2-dibenzothiophen-2-yl-4-[4-[4-(4-diphenylphosphorylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazine (CID 160893267) is 2-dibenzofuran-4-yl-4-[4-[4-(4-diphenylphosphorylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazine;2-dibenzothiophen-2-yl-4-[4-[4-(4-diphenylphosphorylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazine.

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

The canonical SMILES for 2-dibenzofuran-4-yl-4-[4-[4-(4-diphenylphosphorylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazine;2-dibenzothiophen-2-yl-4-[4-[4-(4-diphenylphosphorylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazine is O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccc6sc7ccccc7c6c5)n4)cc3)cc2)cc1.O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5cccc6c5oc5ccccc56)n4)cc3)cc2)cc1.

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

The InChIKey is SONXVYSCGCERFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N3O2P.C51H34N3OPS/c55-57(41-15-6-2-7-16-41,42-17-8-3-9-18-42)43-33-31-38(32-34-43)36-25-23-35(24-26-36)37-27-29-40(30-28-37)50-52-49(39-13-4-1-5-14-39)53-51(54-50)46-21-12-20-45-44-19-10-11-22-47(44)56-48(45)46;55-56(42-14-6-2-7-15-42,43-16-8-3-9-17-43)44-31-28-38(29-32-44)36-22-20-35(21-23-36)37-24-26-40(27-25-37)50-52-49(39-12-4-1-5-13-39)53-51(54-50)41-30-33-48-46(34-41)45-18-10-11-19-47(45)57-48/h2*1-34H.

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

2-dibenzofuran-4-yl-4-[4-[4-(4-diphenylphosphorylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazine;2-dibenzothiophen-2-yl-4-[4-[4-(4-diphenylphosphorylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazine has a molecular weight of 1519.72 g/mol, XLogP of 23.96, 16 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-dibenzofuran-4-yl-4-[4-[4-(4-diphenylphosphorylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazine;2-dibenzothiophen-2-yl-4-[4-[4-(4-diphenylphosphorylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 160893267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).