4-[[(4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-yl)hydrazinylidene]methyl]phenol

C23H19N2O3P — CID 2325888

IUPAC4-[[(4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-yl)hydrazinylidene]methyl]phenol
SMILESO=P1(NN=Cc2ccc(O)cc2)C=C(c2ccccc2)OC(c2ccccc2)=C1
InChIInChI=1S/C23H19N2O3P/c26-21-13-11-18(12-14-21)15-24-25-29(27)16-22(19-7-3-1-4-8-19)28-23(17-29)20-9-5-2-6-10-20/h1-17,26H,(H,25,27)
InChIKeyJKJSPGDXYZNCAX-UHFFFAOYSA-N
MW402.39 g/mol
LogP5.62
Rot. Bonds5

About 4-[[(4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-yl)hydrazinylidene]methyl]phenol

4-[[(4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-yl)hydrazinylidene]methyl]phenol (PubChem CID 2325888) has the molecular formula C23H19N2O3P and a molecular weight of 402.39 g/mol. Its IUPAC name is 4-[[(4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-yl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name4-[[(4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-yl)hydrazinylidene]methyl]phenol
PubChem CID2325888
Molecular FormulaC23H19N2O3P
Molecular Weight402.39 g/mol
Exact Mass402.11
IUPAC Name4-[[(4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-yl)hydrazinylidene]methyl]phenol
SMILESO=P1(NN=Cc2ccc(O)cc2)C=C(c2ccccc2)OC(c2ccccc2)=C1
InChIInChI=1S/C23H19N2O3P/c26-21-13-11-18(12-14-21)15-24-25-29(27)16-22(19-7-3-1-4-8-19)28-23(17-29)20-9-5-2-6-10-20/h1-17,26H,(H,25,27)
InChIKeyJKJSPGDXYZNCAX-UHFFFAOYSA-N
XLogP5.62
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.39
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]phenol
CID 135519938
3-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]phenol
CID 6902332
4-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]phenol
CID 135501969
N-[(4-fluorophenyl)methylideneamino]-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine
CID 2325853
N-[[4-(difluoromethoxy)phenyl]methylideneamino]-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine
CID 2325857
N-[(E)-(4-fluorophenyl)methylideneamino]-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine
CID 6900410
(E)-N-diphenylphosphoryl-1-(4-methoxyphenyl)methanimine
CID 11002170
4-[(E)-[[[[(E)-(4-hydroxyphenyl)methylideneamino]-methylamino]-phenylphosphoryl]-methylhydrazinylidene]methyl]phenol
CID 139145587
N-[(Z)-(4-fluorophenyl)methylideneamino]-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine
CID 5669294
N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine
CID 5669298
N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine
CID 6900414
1-[[(4-Oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-yl)hydrazinylidene]methyl]naphthalen-2-ol
CID 2325850

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-yl)hydrazinylidene]methyl]phenol?
The IUPAC name of 4-[[(4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-yl)hydrazinylidene]methyl]phenol (CID 2325888) is 4-[[(4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-yl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 4-[[(4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-yl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 4-[[(4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-yl)hydrazinylidene]methyl]phenol is O=P1(NN=Cc2ccc(O)cc2)C=C(c2ccccc2)OC(c2ccccc2)=C1.
What is the InChIKey of 4-[[(4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-yl)hydrazinylidene]methyl]phenol?
The InChIKey is JKJSPGDXYZNCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N2O3P/c26-21-13-11-18(12-14-21)15-24-25-29(27)16-22(19-7-3-1-4-8-19)28-23(17-29)20-9-5-2-6-10-20/h1-17,26H,(H,25,27).
What are the key properties of 4-[[(4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-yl)hydrazinylidene]methyl]phenol?
4-[[(4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-yl)hydrazinylidene]methyl]phenol has a molecular weight of 402.39 g/mol, XLogP of 5.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-yl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 2325888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).