4-methyl-2,6-bis(4-phenylphenyl)-1,4λ5-oxaphosphinine 4-oxide

C29H23O2P — CID 164684424

IUPAC4-methyl-2,6-bis(4-phenylphenyl)-1,4λ5-oxaphosphinine 4-oxide
SMILESCP1(=O)C=C(c2ccc(-c3ccccc3)cc2)OC(c2ccc(-c3ccccc3)cc2)=C1
InChIInChI=1S/C29H23O2P/c1-32(30)20-28(26-16-12-24(13-17-26)22-8-4-2-5-9-22)31-29(21-32)27-18-14-25(15-19-27)23-10-6-3-7-11-23/h2-21H,1H3
InChIKeyYCYKKZZLZKNYQL-UHFFFAOYSA-N
MW434.48 g/mol
LogP8.34
Rot. Bonds4

About 4-methyl-2,6-bis(4-phenylphenyl)-1,4λ5-oxaphosphinine 4-oxide

4-methyl-2,6-bis(4-phenylphenyl)-1,4λ5-oxaphosphinine 4-oxide (PubChem CID 164684424) has the molecular formula C29H23O2P and a molecular weight of 434.48 g/mol. Its IUPAC name is 4-methyl-2,6-bis(4-phenylphenyl)-1,4λ5-oxaphosphinine 4-oxide.

Molecular Properties

Compound Name4-methyl-2,6-bis(4-phenylphenyl)-1,4λ5-oxaphosphinine 4-oxide
PubChem CID164684424
Molecular FormulaC29H23O2P
Molecular Weight434.48 g/mol
Exact Mass434.14
IUPAC Name4-methyl-2,6-bis(4-phenylphenyl)-1,4λ5-oxaphosphinine 4-oxide
SMILESCP1(=O)C=C(c2ccc(-c3ccccc3)cc2)OC(c2ccc(-c3ccccc3)cc2)=C1
InChIInChI=1S/C29H23O2P/c1-32(30)20-28(26-16-12-24(13-17-26)22-8-4-2-5-9-22)31-29(21-32)27-18-14-25(15-19-27)23-10-6-3-7-11-23/h2-21H,1H3
InChIKeyYCYKKZZLZKNYQL-UHFFFAOYSA-N
XLogP8.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.48
LogP ≤ 58.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-methyl-2,6-bis(4-phenylphenyl)-1,4λ5-oxaphosphinine 4-oxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4,6-triphenyl-1,4lambda5-oxaphosphinine 4-oxide
CID 14493997
1-N,3-N-bis(4-oxo-2,6-diphenyl-1,4λ5-oxaphosphinin-4-yl)benzene-1,3-diamine
CID 5051260
1,4-bis[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzene;ethane;1-phenyl-4-[4-[4-[4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 162041275
1,4-diphenylbenzene;1-phenyl-4-(4-phenylphenyl)benzene
CID 162098364
benzene;1,1'-biphenyl;ethane
CID 158550617
benzene;tris(1,1'-biphenyl)
CID 162155747
1,1'-biphenyl;toluene
CID 18366440
1,4-diphenylbenzene;ethane;methanamine
CID 168951795
N-[(E)-(2-chlorophenyl)methylideneamino]-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine
CID 6900307
benzene;1,1'-biphenyl;ethane;methane
CID 161215689
1,1'-biphenyl;ethane;hydrobromide
CID 90342014
4-methylsulfanyl-2,6-diphenyl-4H-pyran
CID 156601254

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2,6-bis(4-phenylphenyl)-1,4λ5-oxaphosphinine 4-oxide?
The IUPAC name of 4-methyl-2,6-bis(4-phenylphenyl)-1,4λ5-oxaphosphinine 4-oxide (CID 164684424) is 4-methyl-2,6-bis(4-phenylphenyl)-1,4λ5-oxaphosphinine 4-oxide.
What is the SMILES notation for 4-methyl-2,6-bis(4-phenylphenyl)-1,4λ5-oxaphosphinine 4-oxide?
The canonical SMILES for 4-methyl-2,6-bis(4-phenylphenyl)-1,4λ5-oxaphosphinine 4-oxide is CP1(=O)C=C(c2ccc(-c3ccccc3)cc2)OC(c2ccc(-c3ccccc3)cc2)=C1.
What is the InChIKey of 4-methyl-2,6-bis(4-phenylphenyl)-1,4λ5-oxaphosphinine 4-oxide?
The InChIKey is YCYKKZZLZKNYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23O2P/c1-32(30)20-28(26-16-12-24(13-17-26)22-8-4-2-5-9-22)31-29(21-32)27-18-14-25(15-19-27)23-10-6-3-7-11-23/h2-21H,1H3.
What are the key properties of 4-methyl-2,6-bis(4-phenylphenyl)-1,4λ5-oxaphosphinine 4-oxide?
4-methyl-2,6-bis(4-phenylphenyl)-1,4λ5-oxaphosphinine 4-oxide has a molecular weight of 434.48 g/mol, XLogP of 8.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2,6-bis(4-phenylphenyl)-1,4λ5-oxaphosphinine 4-oxide is sourced from PubChem (CID 164684424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).