2,4,6-triphenyl-1,4lambda5-oxaphosphinine 4-oxide

C22H17O2P — CID 14493997

IUPAC2,4,6-triphenyl-1,4lambda5-oxaphosphinine 4-oxide
SMILESO=P1(c2ccccc2)C=C(c2ccccc2)OC(c2ccccc2)=C1
InChIInChI=1S/C22H17O2P/c23-25(20-14-8-3-9-15-20)16-21(18-10-4-1-5-11-18)24-22(17-25)19-12-6-2-7-13-19/h1-17H
InChIKeyUORMAXWGWZWHBK-UHFFFAOYSA-N
MW344.35 g/mol
LogP5.70
Rot. Bonds3

About 2,4,6-triphenyl-1,4lambda5-oxaphosphinine 4-oxide

2,4,6-triphenyl-1,4lambda5-oxaphosphinine 4-oxide (PubChem CID 14493997) has the molecular formula C22H17O2P and a molecular weight of 344.35 g/mol. Its IUPAC name is 2,4,6-triphenyl-1,4lambda5-oxaphosphinine 4-oxide.

Molecular Properties

Compound Name2,4,6-triphenyl-1,4lambda5-oxaphosphinine 4-oxide
PubChem CID14493997
Molecular FormulaC22H17O2P
Molecular Weight344.35 g/mol
Exact Mass344.10
IUPAC Name2,4,6-triphenyl-1,4lambda5-oxaphosphinine 4-oxide
SMILESO=P1(c2ccccc2)C=C(c2ccccc2)OC(c2ccccc2)=C1
InChIInChI=1S/C22H17O2P/c23-25(20-14-8-3-9-15-20)16-21(18-10-4-1-5-11-18)24-22(17-25)19-12-6-2-7-13-19/h1-17H
InChIKeyUORMAXWGWZWHBK-UHFFFAOYSA-N
XLogP5.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.35
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-2,6-bis(4-phenylphenyl)-1,4λ5-oxaphosphinine 4-oxide
CID 164684424
1-N,3-N-bis(4-oxo-2,6-diphenyl-1,4λ5-oxaphosphinin-4-yl)benzene-1,3-diamine
CID 5051260
N-[(E)-(2-chlorophenyl)methylideneamino]-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine
CID 6900307
1-oxo-1-phenyl-1λ5-phosphinin-4-one
CID 122432827
1,2,3-triphenylisophosphindole 2-oxide
CID 135051366
2-phenyl-1,2λ5-oxaphosphirane 2-oxide
CID 91007999
N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine
CID 2308626
(1R)-3-(4-chlorophenyl)-1-phenyl-1λ5-phosphole 1-oxide
CID 132548466
1,1'-biphenyl;molecular hydrogen
CID 173033571
2-oxido-2-oxo-6-phenyl-1,3,2λ5-dioxaphosphinin-4-one
CID 21138866
benzene;tris(1,1'-biphenyl)
CID 162155747
4-methylsulfanyl-2,6-diphenyl-4H-pyran
CID 156601254

Frequently Asked Questions

What is the IUPAC name of 2,4,6-triphenyl-1,4lambda5-oxaphosphinine 4-oxide?
The IUPAC name of 2,4,6-triphenyl-1,4lambda5-oxaphosphinine 4-oxide (CID 14493997) is 2,4,6-triphenyl-1,4lambda5-oxaphosphinine 4-oxide.
What is the SMILES notation for 2,4,6-triphenyl-1,4lambda5-oxaphosphinine 4-oxide?
The canonical SMILES for 2,4,6-triphenyl-1,4lambda5-oxaphosphinine 4-oxide is O=P1(c2ccccc2)C=C(c2ccccc2)OC(c2ccccc2)=C1.
What is the InChIKey of 2,4,6-triphenyl-1,4lambda5-oxaphosphinine 4-oxide?
The InChIKey is UORMAXWGWZWHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17O2P/c23-25(20-14-8-3-9-15-20)16-21(18-10-4-1-5-11-18)24-22(17-25)19-12-6-2-7-13-19/h1-17H.
What are the key properties of 2,4,6-triphenyl-1,4lambda5-oxaphosphinine 4-oxide?
2,4,6-triphenyl-1,4lambda5-oxaphosphinine 4-oxide has a molecular weight of 344.35 g/mol, XLogP of 5.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-triphenyl-1,4lambda5-oxaphosphinine 4-oxide is sourced from PubChem (CID 14493997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).