ethylideneazanide;[2-(2-methanidylphenoxy)phenyl]-diphenylphosphanium;palladium

C29H29N2OPPd-2 — CID 160956053

IUPACethylideneazanide;[2-(2-methanidylphenoxy)phenyl]-diphenylphosphanium;palladium
SMILESCC=[N-].CC=[N-].[CH2-]c1ccccc1Oc1ccccc1[PH+](c1ccccc1)c1ccccc1.[Pd]
InChIInChI=1S/C25H20OP.2C2H4N.Pd/c1-20-12-8-9-17-23(20)26-24-18-10-11-19-25(24)27(21-13-4-2-5-14-21)22-15-6-3-7-16-22;2*1-2-3;/h2-19H,1H2;2*2H,1H3;/q3*-1;/p+1
InChIKeyYTCKNFBQPTXKBE-UHFFFAOYSA-O
MW558.96 g/mol
LogP6.44
Rot. Bonds5

About ethylideneazanide;[2-(2-methanidylphenoxy)phenyl]-diphenylphosphanium;palladium

ethylideneazanide;[2-(2-methanidylphenoxy)phenyl]-diphenylphosphanium;palladium (PubChem CID 160956053) has the molecular formula C29H29N2OPPd-2 and a molecular weight of 558.96 g/mol. Its IUPAC name is ethylideneazanide;[2-(2-methanidylphenoxy)phenyl]-diphenylphosphanium;palladium.

Molecular Properties

Compound Nameethylideneazanide;[2-(2-methanidylphenoxy)phenyl]-diphenylphosphanium;palladium
PubChem CID160956053
Molecular FormulaC29H29N2OPPd-2
Molecular Weight558.96 g/mol
Exact Mass558.11
IUPAC Nameethylideneazanide;[2-(2-methanidylphenoxy)phenyl]-diphenylphosphanium;palladium
SMILESCC=[N-].CC=[N-].[CH2-]c1ccccc1Oc1ccccc1[PH+](c1ccccc1)c1ccccc1.[Pd]
InChIInChI=1S/C25H20OP.2C2H4N.Pd/c1-20-12-8-9-17-23(20)26-24-18-10-11-19-25(24)27(21-13-4-2-5-14-21)22-15-6-3-7-16-22;2*1-2-3;/h2-19H,1H2;2*2H,1H3;/q3*-1;/p+1
InChIKeyYTCKNFBQPTXKBE-UHFFFAOYSA-O
XLogP6.44
TPSA53.83 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.96
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze ethylideneazanide;[2-(2-methanidylphenoxy)phenyl]-diphenylphosphanium;palladium with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethylideneazanide;[2-(2-methanidylphenoxy)phenyl]-diphenylphosphanium;palladium?
The IUPAC name of ethylideneazanide;[2-(2-methanidylphenoxy)phenyl]-diphenylphosphanium;palladium (CID 160956053) is ethylideneazanide;[2-(2-methanidylphenoxy)phenyl]-diphenylphosphanium;palladium.
What is the SMILES notation for ethylideneazanide;[2-(2-methanidylphenoxy)phenyl]-diphenylphosphanium;palladium?
The canonical SMILES for ethylideneazanide;[2-(2-methanidylphenoxy)phenyl]-diphenylphosphanium;palladium is CC=[N-].CC=[N-].[CH2-]c1ccccc1Oc1ccccc1[PH+](c1ccccc1)c1ccccc1.[Pd].
What is the InChIKey of ethylideneazanide;[2-(2-methanidylphenoxy)phenyl]-diphenylphosphanium;palladium?
The InChIKey is YTCKNFBQPTXKBE-UHFFFAOYSA-O. The full InChI is InChI=1S/C25H20OP.2C2H4N.Pd/c1-20-12-8-9-17-23(20)26-24-18-10-11-19-25(24)27(21-13-4-2-5-14-21)22-15-6-3-7-16-22;2*1-2-3;/h2-19H,1H2;2*2H,1H3;/q3*-1;/p+1.
What are the key properties of ethylideneazanide;[2-(2-methanidylphenoxy)phenyl]-diphenylphosphanium;palladium?
ethylideneazanide;[2-(2-methanidylphenoxy)phenyl]-diphenylphosphanium;palladium has a molecular weight of 558.96 g/mol, XLogP of 6.44, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethylideneazanide;[2-(2-methanidylphenoxy)phenyl]-diphenylphosphanium;palladium is sourced from PubChem (CID 160956053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).