diphenyl(propa-1,2-dienyl)phosphane

C15H13P — CID 15397612

IUPACdiphenyl(propa-1,2-dienyl)phosphane
SMILESC=C=CP(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H13P/c1-2-13-16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13H,1H2
InChIKeyCKJFOJPJCIPTIX-UHFFFAOYSA-N
MW224.24 g/mol
LogP3.42
Rot. Bonds3

About diphenyl(propa-1,2-dienyl)phosphane

diphenyl(propa-1,2-dienyl)phosphane (PubChem CID 15397612) has the molecular formula C15H13P and a molecular weight of 224.24 g/mol. Its IUPAC name is diphenyl(propa-1,2-dienyl)phosphane.

Molecular Properties

Compound Namediphenyl(propa-1,2-dienyl)phosphane
PubChem CID15397612
Molecular FormulaC15H13P
Molecular Weight224.24 g/mol
Exact Mass224.08
IUPAC Namediphenyl(propa-1,2-dienyl)phosphane
SMILESC=C=CP(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H13P/c1-2-13-16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13H,1H2
InChIKeyCKJFOJPJCIPTIX-UHFFFAOYSA-N
XLogP3.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.24
LogP ≤ 53.42
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 diphenyl(propa-1,2-dienyl)phosphane?
The IUPAC name of diphenyl(propa-1,2-dienyl)phosphane (CID 15397612) is diphenyl(propa-1,2-dienyl)phosphane.
What is the SMILES notation for diphenyl(propa-1,2-dienyl)phosphane?
The canonical SMILES for diphenyl(propa-1,2-dienyl)phosphane is C=C=CP(c1ccccc1)c1ccccc1.
What is the InChIKey of diphenyl(propa-1,2-dienyl)phosphane?
The InChIKey is CKJFOJPJCIPTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13P/c1-2-13-16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13H,1H2.
What are the key properties of diphenyl(propa-1,2-dienyl)phosphane?
diphenyl(propa-1,2-dienyl)phosphane has a molecular weight of 224.24 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl(propa-1,2-dienyl)phosphane is sourced from PubChem (CID 15397612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).