[(E)-1-cyano-2-(2-phenylhydrazinyl)ethenyl]-triphenylphosphanium

C27H23N3P+ — CID 3090159

IUPAC[(E)-1-cyano-2-(2-phenylhydrazinyl)ethenyl]-triphenylphosphanium
SMILESN#C/C(=C\NNc1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H23N3P/c28-21-27(22-29-30-23-13-5-1-6-14-23)31(24-15-7-2-8-16-24,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20,22,29-30H/q+1/b27-22+
InChIKeyLFIHAZANDLZMCY-HPNDGRJYSA-N
MW420.48 g/mol
LogP4.96
Rot. Bonds7

About [(E)-1-cyano-2-(2-phenylhydrazinyl)ethenyl]-triphenylphosphanium

[(E)-1-cyano-2-(2-phenylhydrazinyl)ethenyl]-triphenylphosphanium (PubChem CID 3090159) has the molecular formula C27H23N3P+ and a molecular weight of 420.48 g/mol. Its IUPAC name is [(E)-1-cyano-2-(2-phenylhydrazinyl)ethenyl]-triphenylphosphanium.

Molecular Properties

Compound Name[(E)-1-cyano-2-(2-phenylhydrazinyl)ethenyl]-triphenylphosphanium
PubChem CID3090159
Molecular FormulaC27H23N3P+
Molecular Weight420.48 g/mol
Exact Mass420.16
IUPAC Name[(E)-1-cyano-2-(2-phenylhydrazinyl)ethenyl]-triphenylphosphanium
SMILESN#C/C(=C\NNc1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H23N3P/c28-21-27(22-29-30-23-13-5-1-6-14-23)31(24-15-7-2-8-16-24,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20,22,29-30H/q+1/b27-22+
InChIKeyLFIHAZANDLZMCY-HPNDGRJYSA-N
XLogP4.96
TPSA47.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.48
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E)-1-cyano-2-(2-phenylhydrazinyl)ethenyl]-triphenylphosphanium?
The IUPAC name of [(E)-1-cyano-2-(2-phenylhydrazinyl)ethenyl]-triphenylphosphanium (CID 3090159) is [(E)-1-cyano-2-(2-phenylhydrazinyl)ethenyl]-triphenylphosphanium.
What is the SMILES notation for [(E)-1-cyano-2-(2-phenylhydrazinyl)ethenyl]-triphenylphosphanium?
The canonical SMILES for [(E)-1-cyano-2-(2-phenylhydrazinyl)ethenyl]-triphenylphosphanium is N#C/C(=C\NNc1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(E)-1-cyano-2-(2-phenylhydrazinyl)ethenyl]-triphenylphosphanium?
The InChIKey is LFIHAZANDLZMCY-HPNDGRJYSA-N. The full InChI is InChI=1S/C27H23N3P/c28-21-27(22-29-30-23-13-5-1-6-14-23)31(24-15-7-2-8-16-24,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20,22,29-30H/q+1/b27-22+.
What are the key properties of [(E)-1-cyano-2-(2-phenylhydrazinyl)ethenyl]-triphenylphosphanium?
[(E)-1-cyano-2-(2-phenylhydrazinyl)ethenyl]-triphenylphosphanium has a molecular weight of 420.48 g/mol, XLogP of 4.96, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-cyano-2-(2-phenylhydrazinyl)ethenyl]-triphenylphosphanium is sourced from PubChem (CID 3090159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).