oxo-diphenyl-(2-phenylethynylimino)-λ6-sulfane

C20H15NOS — CID 134957660

IUPACoxo-diphenyl-(2-phenylethynylimino)-λ6-sulfane
SMILESO=S(=NC#Cc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H15NOS/c22-23(19-12-6-2-7-13-19,20-14-8-3-9-15-20)21-17-16-18-10-4-1-5-11-18/h1-15H
InChIKeyAQTKBNISLVCHIA-UHFFFAOYSA-N
MW317.41 g/mol
LogP4.58
Rot. Bonds2

About oxo-diphenyl-(2-phenylethynylimino)-λ6-sulfane

oxo-diphenyl-(2-phenylethynylimino)-λ6-sulfane (PubChem CID 134957660) has the molecular formula C20H15NOS and a molecular weight of 317.41 g/mol. Its IUPAC name is oxo-diphenyl-(2-phenylethynylimino)-λ6-sulfane.

Molecular Properties

Compound Nameoxo-diphenyl-(2-phenylethynylimino)-λ6-sulfane
PubChem CID134957660
Molecular FormulaC20H15NOS
Molecular Weight317.41 g/mol
Exact Mass317.09
IUPAC Nameoxo-diphenyl-(2-phenylethynylimino)-λ6-sulfane
SMILESO=S(=NC#Cc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H15NOS/c22-23(19-12-6-2-7-13-19,20-14-8-3-9-15-20)21-17-16-18-10-4-1-5-11-18/h1-15H
InChIKeyAQTKBNISLVCHIA-UHFFFAOYSA-N
XLogP4.58
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze oxo-diphenyl-(2-phenylethynylimino)-λ6-sulfane 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

2-((1,2-13C2)cyclohexatrienyl)ethynyl(1,2-13C2)cyclohexatriene
CID 150731469
1-[2-(benzenesulfonyl)ethynyl]-2-(2-phenylethynyl)benzene
CID 100965229
4-(2-phenylethynyl)benzenesulfonic acid
CID 19833141
2-phenylethynylbenzene;sulfur dioxide
CID 175266779
oxophosphanium;2-phenylethynylbenzene
CID 161111354
2-phenylethynylbenzene;dihydrochloride
CID 174927104
2-phenylethynylbenzene;hydrofluoride
CID 158259923
methyl-oxo-phenyl-(2-thiophen-2-ylethynylimino)-λ6-sulfane
CID 132542660
carbanide;dioxorhenium;2-phenylethynylbenzene
CID 134981110
3-(benzenesulfonyl)-6-(2-phenylethynyl)pyridazine
CID 11232442
12-phenyl(1,12-13C2)dodeca-1,3,5,7,9,11-hexaynylbenzene
CID 102289282
methylsulfanylmethane;2-phenylethynylbenzene
CID 166709013

Frequently Asked Questions

What is the IUPAC name of oxo-diphenyl-(2-phenylethynylimino)-λ6-sulfane?
The IUPAC name of oxo-diphenyl-(2-phenylethynylimino)-λ6-sulfane (CID 134957660) is oxo-diphenyl-(2-phenylethynylimino)-λ6-sulfane.
What is the SMILES notation for oxo-diphenyl-(2-phenylethynylimino)-λ6-sulfane?
The canonical SMILES for oxo-diphenyl-(2-phenylethynylimino)-λ6-sulfane is O=S(=NC#Cc1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of oxo-diphenyl-(2-phenylethynylimino)-λ6-sulfane?
The InChIKey is AQTKBNISLVCHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NOS/c22-23(19-12-6-2-7-13-19,20-14-8-3-9-15-20)21-17-16-18-10-4-1-5-11-18/h1-15H.
What are the key properties of oxo-diphenyl-(2-phenylethynylimino)-λ6-sulfane?
oxo-diphenyl-(2-phenylethynylimino)-λ6-sulfane has a molecular weight of 317.41 g/mol, XLogP of 4.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxo-diphenyl-(2-phenylethynylimino)-λ6-sulfane is sourced from PubChem (CID 134957660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).