[2-[(E)-N-diazenyl-C-methylcarbonimidoyl]phenyl]-methyl-diphenylphosphanium

C21H21N3P+ — CID 130383369

IUPAC[2-[(E)-N-diazenyl-C-methylcarbonimidoyl]phenyl]-methyl-diphenylphosphanium
SMILES[H]/N=N/N=C(\C)c1ccccc1[P+](C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H21N3P/c1-17(23-24-22)20-15-9-10-16-21(20)25(2,18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-16,22H,1-2H3/q+1/b23-17+,24-22+
InChIKeyUKMNLKKJJUBILT-QYPPNFDLSA-N
MW346.39 g/mol
LogP4.37
Rot. Bonds5

About [2-[(E)-N-diazenyl-C-methylcarbonimidoyl]phenyl]-methyl-diphenylphosphanium

[2-[(E)-N-diazenyl-C-methylcarbonimidoyl]phenyl]-methyl-diphenylphosphanium (PubChem CID 130383369) has the molecular formula C21H21N3P+ and a molecular weight of 346.39 g/mol. Its IUPAC name is [2-[(E)-N-diazenyl-C-methylcarbonimidoyl]phenyl]-methyl-diphenylphosphanium.

Molecular Properties

Compound Name[2-[(E)-N-diazenyl-C-methylcarbonimidoyl]phenyl]-methyl-diphenylphosphanium
PubChem CID130383369
Molecular FormulaC21H21N3P+
Molecular Weight346.39 g/mol
Exact Mass346.15
IUPAC Name[2-[(E)-N-diazenyl-C-methylcarbonimidoyl]phenyl]-methyl-diphenylphosphanium
SMILES[H]/N=N/N=C(\C)c1ccccc1[P+](C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H21N3P/c1-17(23-24-22)20-15-9-10-16-21(20)25(2,18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-16,22H,1-2H3/q+1/b23-17+,24-22+
InChIKeyUKMNLKKJJUBILT-QYPPNFDLSA-N
XLogP4.37
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', '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'}

Analyze [2-[(E)-N-diazenyl-C-methylcarbonimidoyl]phenyl]-methyl-diphenylphosphanium 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 [2-[(E)-N-diazenyl-C-methylcarbonimidoyl]phenyl]-methyl-diphenylphosphanium?
The IUPAC name of [2-[(E)-N-diazenyl-C-methylcarbonimidoyl]phenyl]-methyl-diphenylphosphanium (CID 130383369) is [2-[(E)-N-diazenyl-C-methylcarbonimidoyl]phenyl]-methyl-diphenylphosphanium.
What is the SMILES notation for [2-[(E)-N-diazenyl-C-methylcarbonimidoyl]phenyl]-methyl-diphenylphosphanium?
The canonical SMILES for [2-[(E)-N-diazenyl-C-methylcarbonimidoyl]phenyl]-methyl-diphenylphosphanium is [H]/N=N/N=C(\C)c1ccccc1[P+](C)(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-[(E)-N-diazenyl-C-methylcarbonimidoyl]phenyl]-methyl-diphenylphosphanium?
The InChIKey is UKMNLKKJJUBILT-QYPPNFDLSA-N. The full InChI is InChI=1S/C21H21N3P/c1-17(23-24-22)20-15-9-10-16-21(20)25(2,18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-16,22H,1-2H3/q+1/b23-17+,24-22+.
What are the key properties of [2-[(E)-N-diazenyl-C-methylcarbonimidoyl]phenyl]-methyl-diphenylphosphanium?
[2-[(E)-N-diazenyl-C-methylcarbonimidoyl]phenyl]-methyl-diphenylphosphanium has a molecular weight of 346.39 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(E)-N-diazenyl-C-methylcarbonimidoyl]phenyl]-methyl-diphenylphosphanium is sourced from PubChem (CID 130383369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).