triphenyl(2-phenylethenylidene)-λ5-phosphane

C26H21P — CID 12530584

IUPACtriphenyl(2-phenylethenylidene)-λ5-phosphane
SMILESC(=Cc1ccccc1)=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H21P/c1-5-13-23(14-6-1)21-22-27(24-15-7-2-8-16-24,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-21H
InChIKeyOHBAKIGZYDGQOJ-UHFFFAOYSA-N
MW364.43 g/mol
LogP5.09
Rot. Bonds4

About triphenyl(2-phenylethenylidene)-λ5-phosphane

triphenyl(2-phenylethenylidene)-λ5-phosphane (PubChem CID 12530584) has the molecular formula C26H21P and a molecular weight of 364.43 g/mol. Its IUPAC name is triphenyl(2-phenylethenylidene)-λ5-phosphane.

Molecular Properties

Compound Nametriphenyl(2-phenylethenylidene)-λ5-phosphane
PubChem CID12530584
Molecular FormulaC26H21P
Molecular Weight364.43 g/mol
Exact Mass364.14
IUPAC Nametriphenyl(2-phenylethenylidene)-λ5-phosphane
SMILESC(=Cc1ccccc1)=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H21P/c1-5-13-23(14-6-1)21-22-27(24-15-7-2-8-16-24,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-21H
InChIKeyOHBAKIGZYDGQOJ-UHFFFAOYSA-N
XLogP5.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.43
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of triphenyl(2-phenylethenylidene)-λ5-phosphane?
The IUPAC name of triphenyl(2-phenylethenylidene)-λ5-phosphane (CID 12530584) is triphenyl(2-phenylethenylidene)-λ5-phosphane.
What is the SMILES notation for triphenyl(2-phenylethenylidene)-λ5-phosphane?
The canonical SMILES for triphenyl(2-phenylethenylidene)-λ5-phosphane is C(=Cc1ccccc1)=P(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of triphenyl(2-phenylethenylidene)-λ5-phosphane?
The InChIKey is OHBAKIGZYDGQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21P/c1-5-13-23(14-6-1)21-22-27(24-15-7-2-8-16-24,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-21H.
What are the key properties of triphenyl(2-phenylethenylidene)-λ5-phosphane?
triphenyl(2-phenylethenylidene)-λ5-phosphane has a molecular weight of 364.43 g/mol, XLogP of 5.09, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl(2-phenylethenylidene)-λ5-phosphane is sourced from PubChem (CID 12530584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).