3,5,5,5-tetraphenyl-4H-1,2,5λ5-oxazaphosphole

C26H22NOP — CID 12555866

IUPAC3,5,5,5-tetraphenyl-4H-1,2,5λ5-oxazaphosphole
SMILESc1ccc(C2=NOP(c3ccccc3)(c3ccccc3)(c3ccccc3)C2)cc1
InChIInChI=1S/C26H22NOP/c1-5-13-22(14-6-1)26-21-29(28-27-26,23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20H,21H2
InChIKeyPYBWGSWCGUEEQS-UHFFFAOYSA-N
MW395.44 g/mol
LogP4.87
Rot. Bonds4

About 3,5,5,5-tetraphenyl-4H-1,2,5λ5-oxazaphosphole

3,5,5,5-tetraphenyl-4H-1,2,5λ5-oxazaphosphole (PubChem CID 12555866) has the molecular formula C26H22NOP and a molecular weight of 395.44 g/mol. Its IUPAC name is 3,5,5,5-tetraphenyl-4H-1,2,5λ5-oxazaphosphole.

Molecular Properties

Compound Name3,5,5,5-tetraphenyl-4H-1,2,5λ5-oxazaphosphole
PubChem CID12555866
Molecular FormulaC26H22NOP
Molecular Weight395.44 g/mol
Exact Mass395.14
IUPAC Name3,5,5,5-tetraphenyl-4H-1,2,5λ5-oxazaphosphole
SMILESc1ccc(C2=NOP(c3ccccc3)(c3ccccc3)(c3ccccc3)C2)cc1
InChIInChI=1S/C26H22NOP/c1-5-13-22(14-6-1)26-21-29(28-27-26,23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20H,21H2
InChIKeyPYBWGSWCGUEEQS-UHFFFAOYSA-N
XLogP4.87
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3,5,5,5-tetraphenyl-4H-1,2,5λ5-oxazaphosphole 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

Benzophenone azine
CID 101221
(E)-N-diphenylphosphoryloxy-1-(2-fluorophenyl)ethanimine
CID 153522001
N-(diphenylphosphinyl)acetophenoneimine
CID 85073507
(E)-N-diphenylphosphoryl-1-phenylethanimine
CID 9944887
(E)-N-diphenylphosphoryl-1-phenylpropan-1-imine
CID 13736338
(E)-N-diphenylphosphoryl-1-(4-fluorophenyl)ethanimine
CID 44178551
(E)-N-diphenylphosphoryloxy-1-(4-fluorophenyl)ethanimine
CID 162411972
Ethanone, 1,2-diphenyl-, (1,2-diphenylethylidene)hydrazone
CID 5368656
(E)-N-diphenylphosphoryl-1-(4-methylphenyl)ethanimine
CID 11221276
(E,E)-N-diphenylphosphoryl-4-phenylbut-3-en-2-imine
CID 11290909
N-(2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-ylidene)hydroxylamine
CID 13308738
(E)-N-diphenylphosphoryl-4-phenylbutan-2-imine
CID 135071765

Frequently Asked Questions

What is the IUPAC name of 3,5,5,5-tetraphenyl-4H-1,2,5λ5-oxazaphosphole?
The IUPAC name of 3,5,5,5-tetraphenyl-4H-1,2,5λ5-oxazaphosphole (CID 12555866) is 3,5,5,5-tetraphenyl-4H-1,2,5λ5-oxazaphosphole.
What is the SMILES notation for 3,5,5,5-tetraphenyl-4H-1,2,5λ5-oxazaphosphole?
The canonical SMILES for 3,5,5,5-tetraphenyl-4H-1,2,5λ5-oxazaphosphole is c1ccc(C2=NOP(c3ccccc3)(c3ccccc3)(c3ccccc3)C2)cc1.
What is the InChIKey of 3,5,5,5-tetraphenyl-4H-1,2,5λ5-oxazaphosphole?
The InChIKey is PYBWGSWCGUEEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22NOP/c1-5-13-22(14-6-1)26-21-29(28-27-26,23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20H,21H2.
What are the key properties of 3,5,5,5-tetraphenyl-4H-1,2,5λ5-oxazaphosphole?
3,5,5,5-tetraphenyl-4H-1,2,5λ5-oxazaphosphole has a molecular weight of 395.44 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,5,5-tetraphenyl-4H-1,2,5λ5-oxazaphosphole is sourced from PubChem (CID 12555866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).