5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-1,2,3-triphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide

C51H34N5O2P — CID 134536006

About 5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-1,2,3-triphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide

5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-1,2,3-triphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide (PubChem CID 134536006) has the molecular formula C51H34N5O2P and a molecular weight of 779.84 g/mol. Its IUPAC name is 5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-1,2,3-triphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide.

Molecular Properties

• Compound Name: 5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-1,2,3-triphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide
• PubChem CID: 134536006
• Molecular Formula: C51H34N5O2P
• Molecular Weight: 779.84 g/mol
• Exact Mass: 779.25
• IUPAC Name: 5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-1,2,3-triphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide
• SMILES: O=P1(c2ccccc2)N(c2ccccc2)c2ccc(-c3ccc4oc5c(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cccc5c4c3)cc2N1c1ccccc1
• InChI: InChI=1S/C51H34N5O2P/c57-59(41-25-14-5-15-26-41)55(39-21-10-3-11-22-39)45-31-29-38(34-46(45)56(59)40-23-12-4-13-24-40)37-30-32-47-44(33-37)42-27-16-28-43(48(42)58-47)51-53-49(35-17-6-1-7-18-35)52-50(54-51)36-19-8-2-9-20-36/h1-34H
• InChIKey: CKFFHDRCHYDRAO-UHFFFAOYSA-N
• XLogP: 13.25
• TPSA: 75.36 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	779.84
LogP ≤ 5	13.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-1,2,3-triphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide?

The IUPAC name of 5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-1,2,3-triphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide (CID 134536006) is 5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-1,2,3-triphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide.

What is the SMILES notation for 5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-1,2,3-triphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide?

The canonical SMILES for 5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-1,2,3-triphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide is O=P1(c2ccccc2)N(c2ccccc2)c2ccc(-c3ccc4oc5c(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cccc5c4c3)cc2N1c1ccccc1.

What is the InChIKey of 5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-1,2,3-triphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide?

The InChIKey is CKFFHDRCHYDRAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N5O2P/c57-59(41-25-14-5-15-26-41)55(39-21-10-3-11-22-39)45-31-29-38(34-46(45)56(59)40-23-12-4-13-24-40)37-30-32-47-44(33-37)42-27-16-28-43(48(42)58-47)51-53-49(35-17-6-1-7-18-35)52-50(54-51)36-19-8-2-9-20-36/h1-34H.

What are the key properties of 5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-1,2,3-triphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide?

5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-1,2,3-triphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide has a molecular weight of 779.84 g/mol, XLogP of 13.25, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-1,2,3-triphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide is sourced from PubChem (CID 134536006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).