diphenyl-(1-phenylprop-2-enyl)-sulfanylidene-λ5-phosphane

C21H19PS — CID 71416955

IUPACdiphenyl-(1-phenylprop-2-enyl)-sulfanylidene-λ5-phosphane
SMILESC=CC(c1ccccc1)P(=S)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H19PS/c1-2-21(18-12-6-3-7-13-18)22(23,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h2-17,21H,1H2
InChIKeyWYYOKZHZQZDISY-UHFFFAOYSA-N
MW334.42 g/mol
LogP5.04
Rot. Bonds5

About diphenyl-(1-phenylprop-2-enyl)-sulfanylidene-λ5-phosphane

diphenyl-(1-phenylprop-2-enyl)-sulfanylidene-λ5-phosphane (PubChem CID 71416955) has the molecular formula C21H19PS and a molecular weight of 334.42 g/mol. Its IUPAC name is diphenyl-(1-phenylprop-2-enyl)-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namediphenyl-(1-phenylprop-2-enyl)-sulfanylidene-λ5-phosphane
PubChem CID71416955
Molecular FormulaC21H19PS
Molecular Weight334.42 g/mol
Exact Mass334.09
IUPAC Namediphenyl-(1-phenylprop-2-enyl)-sulfanylidene-λ5-phosphane
SMILESC=CC(c1ccccc1)P(=S)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H19PS/c1-2-21(18-12-6-3-7-13-18)22(23,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h2-17,21H,1H2
InChIKeyWYYOKZHZQZDISY-UHFFFAOYSA-N
XLogP5.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.42
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze diphenyl-(1-phenylprop-2-enyl)-sulfanylidene-λ5-phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 147982953
CID 147982953
[(1R,2S)-1-ethenyl-2-phenylbut-3-enyl]benzene
CID 12573330
penta-1,4-dien-3-ylbenzene
CID 15879286
[(1R)-1-[(1R)-1-phenylprop-2-enyl]sulfanylprop-2-enyl]benzene
CID 141305061
1-(1-phenylprop-2-enyldisulfanyl)prop-2-enylbenzene
CID 87154627
N-[(Z,3R)-3-diphenylphosphinothioyl-1-(4-methylphenyl)-3-phenylprop-1-enyl]-4-methylbenzenesulfonamide
CID 71490225
2,2-diphenylethyl-diphenyl-sulfanylidene-lambda5-phosphane
CID 10739652
1-chloroprop-2-enylbenzene
CID 11768772
benzene;1-phenylprop-2-en-1-ol
CID 174884403
[(1R)-1-chloroprop-2-enyl]benzene
CID 94848346
1-phenylprop-2-enyloxidanium
CID 135026196
1-iodoprop-2-enylbenzene
CID 21195039

Frequently Asked Questions

What is the IUPAC name of diphenyl-(1-phenylprop-2-enyl)-sulfanylidene-λ5-phosphane?
The IUPAC name of diphenyl-(1-phenylprop-2-enyl)-sulfanylidene-λ5-phosphane (CID 71416955) is diphenyl-(1-phenylprop-2-enyl)-sulfanylidene-λ5-phosphane.
What is the SMILES notation for diphenyl-(1-phenylprop-2-enyl)-sulfanylidene-λ5-phosphane?
The canonical SMILES for diphenyl-(1-phenylprop-2-enyl)-sulfanylidene-λ5-phosphane is C=CC(c1ccccc1)P(=S)(c1ccccc1)c1ccccc1.
What is the InChIKey of diphenyl-(1-phenylprop-2-enyl)-sulfanylidene-λ5-phosphane?
The InChIKey is WYYOKZHZQZDISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19PS/c1-2-21(18-12-6-3-7-13-18)22(23,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h2-17,21H,1H2.
What are the key properties of diphenyl-(1-phenylprop-2-enyl)-sulfanylidene-λ5-phosphane?
diphenyl-(1-phenylprop-2-enyl)-sulfanylidene-λ5-phosphane has a molecular weight of 334.42 g/mol, XLogP of 5.04, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-(1-phenylprop-2-enyl)-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 71416955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).