acetic acid;(NE,Z)-N-[(2-diphenylphosphanylphenyl)methylidene]benzenecarbohydrazonic acid;palladium

C28H25N2O3PPd — CID 135466979

IUPACacetic acid;(NE,Z)-N-[(2-diphenylphosphanylphenyl)methylidene]benzenecarbohydrazonic acid;palladium
SMILESCC(=O)O.O/C(=N\N=C\c1ccccc1P(c1ccccc1)c1ccccc1)c1ccccc1.[Pd]
InChIInChI=1S/C26H21N2OP.C2H4O2.Pd/c29-26(21-12-4-1-5-13-21)28-27-20-22-14-10-11-19-25(22)30(23-15-6-2-7-16-23)24-17-8-3-9-18-24;1-2(3)4;/h1-20H,(H,28,29);1H3,(H,3,4);/b27-20+;;
InChIKeySSUBYPMZQHWADG-XEBZZKOLSA-N
MW574.91 g/mol
LogP4.87
Rot. Bonds6

About acetic acid;(NE,Z)-N-[(2-diphenylphosphanylphenyl)methylidene]benzenecarbohydrazonic acid;palladium

acetic acid;(NE,Z)-N-[(2-diphenylphosphanylphenyl)methylidene]benzenecarbohydrazonic acid;palladium (PubChem CID 135466979) has the molecular formula C28H25N2O3PPd and a molecular weight of 574.91 g/mol. Its IUPAC name is acetic acid;(NE,Z)-N-[(2-diphenylphosphanylphenyl)methylidene]benzenecarbohydrazonic acid;palladium.

Molecular Properties

Compound Nameacetic acid;(NE,Z)-N-[(2-diphenylphosphanylphenyl)methylidene]benzenecarbohydrazonic acid;palladium
PubChem CID135466979
Molecular FormulaC28H25N2O3PPd
Molecular Weight574.91 g/mol
Exact Mass574.06
IUPAC Nameacetic acid;(NE,Z)-N-[(2-diphenylphosphanylphenyl)methylidene]benzenecarbohydrazonic acid;palladium
SMILESCC(=O)O.O/C(=N\N=C\c1ccccc1P(c1ccccc1)c1ccccc1)c1ccccc1.[Pd]
InChIInChI=1S/C26H21N2OP.C2H4O2.Pd/c29-26(21-12-4-1-5-13-21)28-27-20-22-14-10-11-19-25(22)30(23-15-6-2-7-16-23)24-17-8-3-9-18-24;1-2(3)4;/h1-20H,(H,28,29);1H3,(H,3,4);/b27-20+;;
InChIKeySSUBYPMZQHWADG-XEBZZKOLSA-N
XLogP4.87
TPSA82.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500574.91
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze acetic acid;(NE,Z)-N-[(2-diphenylphosphanylphenyl)methylidene]benzenecarbohydrazonic acid;palladium 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

N-[(E)-(2-diphenylphosphanylphenyl)methylideneamino]pyridine-2-carboxamide
CID 177413509
sodium (2R)-2-[(2-diphenylphosphanylphenyl)methylideneamino]-3,3-dimethylbutanoate
CID 154725624
cesium (2S)-2-[(2-diphenylphosphanylphenyl)methylideneamino]-3,3-dimethylbutanoate
CID 154726111
sodium 2-[(2-diphenylphosphanylphenyl)methylideneamino]-3,3-dimethylbutanoate
CID 75295063
acetic acid;triphenylphosphane;hydrochloride
CID 87530977
1-(2-diphenylphosphanylphenyl)-N-[(2R)-2-[(2-diphenylphosphanylphenyl)methylideneamino]-1,2-diphenylethyl]methanimine
CID 59365608
dimethyl 2-[(2-diphenylphosphanylphenyl)methylidene]propanedioate
CID 102157207
tert-butyl (E)-3-(2-diphenylphosphanylphenyl)prop-2-enoate
CID 102157205
1-(2-diphenylphosphanylphenyl)-N-[(2R)-2-[(2-diphenylphosphanylphenyl)methylideneamino]propyl]methanimine
CID 101057932
1-(2-diphenylphosphanylphenyl)-N-[(1S,2S)-2-[(2-diphenylphosphanylphenyl)methylideneamino]cyclohexyl]methanimine
CID 11332064
N-cyclohexyl-1-(2-diphenylphosphanylphenyl)methanimine
CID 11280187
acetic acid;chlororuthenium;tris(triphenylphosphane)
CID 172641403

Frequently Asked Questions

What is the IUPAC name of acetic acid;(NE,Z)-N-[(2-diphenylphosphanylphenyl)methylidene]benzenecarbohydrazonic acid;palladium?
The IUPAC name of acetic acid;(NE,Z)-N-[(2-diphenylphosphanylphenyl)methylidene]benzenecarbohydrazonic acid;palladium (CID 135466979) is acetic acid;(NE,Z)-N-[(2-diphenylphosphanylphenyl)methylidene]benzenecarbohydrazonic acid;palladium.
What is the SMILES notation for acetic acid;(NE,Z)-N-[(2-diphenylphosphanylphenyl)methylidene]benzenecarbohydrazonic acid;palladium?
The canonical SMILES for acetic acid;(NE,Z)-N-[(2-diphenylphosphanylphenyl)methylidene]benzenecarbohydrazonic acid;palladium is CC(=O)O.O/C(=N\N=C\c1ccccc1P(c1ccccc1)c1ccccc1)c1ccccc1.[Pd].
What is the InChIKey of acetic acid;(NE,Z)-N-[(2-diphenylphosphanylphenyl)methylidene]benzenecarbohydrazonic acid;palladium?
The InChIKey is SSUBYPMZQHWADG-XEBZZKOLSA-N. The full InChI is InChI=1S/C26H21N2OP.C2H4O2.Pd/c29-26(21-12-4-1-5-13-21)28-27-20-22-14-10-11-19-25(22)30(23-15-6-2-7-16-23)24-17-8-3-9-18-24;1-2(3)4;/h1-20H,(H,28,29);1H3,(H,3,4);/b27-20+;;.
What are the key properties of acetic acid;(NE,Z)-N-[(2-diphenylphosphanylphenyl)methylidene]benzenecarbohydrazonic acid;palladium?
acetic acid;(NE,Z)-N-[(2-diphenylphosphanylphenyl)methylidene]benzenecarbohydrazonic acid;palladium has a molecular weight of 574.91 g/mol, XLogP of 4.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;(NE,Z)-N-[(2-diphenylphosphanylphenyl)methylidene]benzenecarbohydrazonic acid;palladium is sourced from PubChem (CID 135466979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).