[cyano(phenyl)methylidene]-diphenylphosphanium

C20H15NP+ — CID 87164360

IUPAC[cyano(phenyl)methylidene]-diphenylphosphanium
SMILESN#CC(c1ccccc1)=[P+](c1ccccc1)c1ccccc1
InChIInChI=1S/C20H15NP/c21-16-20(17-10-4-1-5-11-17)22(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H/q+1
InChIKeyKOUKGFYZDHTSNT-UHFFFAOYSA-N
MW300.32 g/mol
LogP3.86
Rot. Bonds3

About [cyano(phenyl)methylidene]-diphenylphosphanium

[cyano(phenyl)methylidene]-diphenylphosphanium (PubChem CID 87164360) has the molecular formula C20H15NP+ and a molecular weight of 300.32 g/mol. Its IUPAC name is [cyano(phenyl)methylidene]-diphenylphosphanium.

Molecular Properties

Compound Name[cyano(phenyl)methylidene]-diphenylphosphanium
PubChem CID87164360
Molecular FormulaC20H15NP+
Molecular Weight300.32 g/mol
Exact Mass300.09
IUPAC Name[cyano(phenyl)methylidene]-diphenylphosphanium
SMILESN#CC(c1ccccc1)=[P+](c1ccccc1)c1ccccc1
InChIInChI=1S/C20H15NP/c21-16-20(17-10-4-1-5-11-17)22(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H/q+1
InChIKeyKOUKGFYZDHTSNT-UHFFFAOYSA-N
XLogP3.86
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [cyano(phenyl)methylidene]-diphenylphosphanium?
The IUPAC name of [cyano(phenyl)methylidene]-diphenylphosphanium (CID 87164360) is [cyano(phenyl)methylidene]-diphenylphosphanium.
What is the SMILES notation for [cyano(phenyl)methylidene]-diphenylphosphanium?
The canonical SMILES for [cyano(phenyl)methylidene]-diphenylphosphanium is N#CC(c1ccccc1)=[P+](c1ccccc1)c1ccccc1.
What is the InChIKey of [cyano(phenyl)methylidene]-diphenylphosphanium?
The InChIKey is KOUKGFYZDHTSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NP/c21-16-20(17-10-4-1-5-11-17)22(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H/q+1.
What are the key properties of [cyano(phenyl)methylidene]-diphenylphosphanium?
[cyano(phenyl)methylidene]-diphenylphosphanium has a molecular weight of 300.32 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [cyano(phenyl)methylidene]-diphenylphosphanium is sourced from PubChem (CID 87164360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).