diphenyl-(2-phenylethynyl)-sulfanylidene-λ5-phosphane

C20H15PS — CID 23418911

IUPACdiphenyl-(2-phenylethynyl)-sulfanylidene-λ5-phosphane
SMILESS=P(C#Cc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H15PS/c22-21(19-12-6-2-7-13-19,20-14-8-3-9-15-20)17-16-18-10-4-1-5-11-18/h1-15H
InChIKeyYSMFRPLWBCKWTO-UHFFFAOYSA-N
MW318.38 g/mol
LogP4.13
Rot. Bonds2

About diphenyl-(2-phenylethynyl)-sulfanylidene-λ5-phosphane

diphenyl-(2-phenylethynyl)-sulfanylidene-λ5-phosphane (PubChem CID 23418911) has the molecular formula C20H15PS and a molecular weight of 318.38 g/mol. Its IUPAC name is diphenyl-(2-phenylethynyl)-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namediphenyl-(2-phenylethynyl)-sulfanylidene-λ5-phosphane
PubChem CID23418911
Molecular FormulaC20H15PS
Molecular Weight318.38 g/mol
Exact Mass318.06
IUPAC Namediphenyl-(2-phenylethynyl)-sulfanylidene-λ5-phosphane
SMILESS=P(C#Cc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H15PS/c22-21(19-12-6-2-7-13-19,20-14-8-3-9-15-20)17-16-18-10-4-1-5-11-18/h1-15H
InChIKeyYSMFRPLWBCKWTO-UHFFFAOYSA-N
XLogP4.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

penta-1,3-diynyl-diphenyl-sulfanylidene-λ5-phosphane
CID 23270081
2-((1,2-13C2)cyclohexatrienyl)ethynyl(1,2-13C2)cyclohexatriene
CID 150731469
12-phenyl(1,12-13C2)dodeca-1,3,5,7,9,11-hexaynylbenzene
CID 102289282
2-phenylethynylbenzene;dihydrochloride
CID 174927104
2-phenylethynylbenzene;hydrofluoride
CID 158259923
bromo-diphenyl-sulfanylidene-λ5-phosphane
CID 23415811
N-(4-diphenylphosphinothioylbuta-1,3-diynyl)-N-methylaniline
CID 13230508
oxophosphanium;2-phenylethynylbenzene
CID 161111354
methylsulfanylmethane;2-phenylethynylbenzene
CID 166709013
2-phenylethynylbenzene;sulfur dioxide
CID 175266779
CID 135041196
CID 135041196
oxido-diphenyl-sulfanylidene-λ5-phosphane
CID 3382215

Frequently Asked Questions

What is the IUPAC name of diphenyl-(2-phenylethynyl)-sulfanylidene-λ5-phosphane?
The IUPAC name of diphenyl-(2-phenylethynyl)-sulfanylidene-λ5-phosphane (CID 23418911) is diphenyl-(2-phenylethynyl)-sulfanylidene-λ5-phosphane.
What is the SMILES notation for diphenyl-(2-phenylethynyl)-sulfanylidene-λ5-phosphane?
The canonical SMILES for diphenyl-(2-phenylethynyl)-sulfanylidene-λ5-phosphane is S=P(C#Cc1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of diphenyl-(2-phenylethynyl)-sulfanylidene-λ5-phosphane?
The InChIKey is YSMFRPLWBCKWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15PS/c22-21(19-12-6-2-7-13-19,20-14-8-3-9-15-20)17-16-18-10-4-1-5-11-18/h1-15H.
What are the key properties of diphenyl-(2-phenylethynyl)-sulfanylidene-λ5-phosphane?
diphenyl-(2-phenylethynyl)-sulfanylidene-λ5-phosphane has a molecular weight of 318.38 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-(2-phenylethynyl)-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 23418911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).