Bis[2-((oxo)diphenylphosphino)phenyl]ether

• CAS: 808142-23-6
• Catalog Number: ACM808142236-7
• Category: Thermally Activated Delayed Fluorescence (TADF) OLED
• Molecular Weight: 570.55
• Molecular Formula: C36H28O3P2
• Synonyms: (Oxybis(2,1-phenylene))bis(diphenylphosphine oxide); DPEPO
• IUPAC Name: 1-diphenylphosphoryl-2-(2-diphenylphosphorylphenoxy)benzene
• Canonical SMILES: C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3OC4=CC=CC=C4P(=O)(C5=CC=CC=C5)C6=CC=CC=C6
• InChI: ATTVYRDSOVWELU-UHFFFAOYSA-N
• InChI Key: InChI=1S/C36H28O3P2/c37-40(29-17-5-1-6-18-29,30-19-7-2-8-20-30)35-27-15-13-25-33(35)39-34-26-14-16-28-36(34)41(38,31-21-9-3-10-22-31)32-23-11-4-12-24-32/h1-28H
• Boiling Point: 753.3±60.0 °C(Predicted)
• Melting Point: 280°C
• Density: 1.28±0.1 g/cm3(Predicted)
• Appearance: Solid
• Complexity: 779
• Covalently-Bonded Unit Count: 1
• Exact Mass: 570.151g/mol
• H-Bond Acceptor: 3
• Heavy Atom Count: 41
• Isomeric SMILES: C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3OC4=CC=CC=C4P(=O)(C5=CC=CC=C5)C6=CC=CC=C6
• Monoisotopic Mass: 570.151g/mol
• Rotatable Bond Count: 8
• Topological Polar Surface Area: 43.4A^2

Custom Q&A

What is the molecular formula of the compound Bis[2-[(oxo)diphenylphosphino]phenyl] Ether?

The molecular formula is C36H28O3P2.

What is the exact mass of Bis[2-[(oxo)diphenylphosphino]phenyl] Ether?

The exact mass is 570.15136875.

How many hydrogen bond acceptors does Bis[2-[(oxo)diphenylphosphino]phenyl] Ether have?

It has 3 hydrogen bond acceptors.

What is the computed property XLogP3 of Bis[2-[(oxo)diphenylphosphino]phenyl] Ether?

The XLogP3 value is 7.7.

What are some of the synonyms for Bis[2-[(oxo)diphenylphosphino]phenyl] Ether?

Some synonyms include Bis[2-((oxo)diphenylphosphino)phenyl]ether, DPEPO, and Bis[2-(diphenylphosphino)phenyl] ether oxide.

What is the canonical SMILES representation of Bis[2-[(oxo)diphenylphosphino]phenyl] Ether?

The canonical SMILES representation is C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3OC4=CC=CC=C4P(=O)(C5=CC=CC=C5)C6=CC=CC=C6.

Is Bis[2-[(oxo)diphenylphosphino]phenyl] Ether chiral?

No, it has no defined atom or bond stereocenters, so it is not chiral.

What is the complexity of Bis[2-[(oxo)diphenylphosphino]phenyl] Ether?

The complexity is computed to be 779.

How many heavy atoms are present in Bis[2-[(oxo)diphenylphosphino]phenyl] Ether?

There are 41 heavy atoms in the compound.

What is the InChIKey of Bis[2-[(oxo)diphenylphosphino]phenyl] Ether?

The InChIKey is ATTVYRDSOVWELU-UHFFFAOYSA-N.