phenyl-[4-[(E)-2-phenylethenyl]phenyl]-sulfanyl-sulfanylidene-λ5-phosphane

C20H17PS2 — CID 101374018

IUPACphenyl-[4-[(E)-2-phenylethenyl]phenyl]-sulfanyl-sulfanylidene-λ5-phosphane
SMILESS=P(S)(c1ccccc1)c1ccc(/C=C/c2ccccc2)cc1
InChIInChI=1S/C20H17PS2/c22-21(23,19-9-5-2-6-10-19)20-15-13-18(14-16-20)12-11-17-7-3-1-4-8-17/h1-16H,(H,22,23)/b12-11+
InChIKeyNDXTUXYTEBZLLN-VAWYXSNFSA-N
MW352.46 g/mol
LogP5.13
Rot. Bonds4

About phenyl-[4-[(E)-2-phenylethenyl]phenyl]-sulfanyl-sulfanylidene-λ5-phosphane

phenyl-[4-[(E)-2-phenylethenyl]phenyl]-sulfanyl-sulfanylidene-λ5-phosphane (PubChem CID 101374018) has the molecular formula C20H17PS2 and a molecular weight of 352.46 g/mol. Its IUPAC name is phenyl-[4-[(E)-2-phenylethenyl]phenyl]-sulfanyl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namephenyl-[4-[(E)-2-phenylethenyl]phenyl]-sulfanyl-sulfanylidene-λ5-phosphane
PubChem CID101374018
Molecular FormulaC20H17PS2
Molecular Weight352.46 g/mol
Exact Mass352.05
IUPAC Namephenyl-[4-[(E)-2-phenylethenyl]phenyl]-sulfanyl-sulfanylidene-λ5-phosphane
SMILESS=P(S)(c1ccccc1)c1ccc(/C=C/c2ccccc2)cc1
InChIInChI=1S/C20H17PS2/c22-21(23,19-9-5-2-6-10-19)20-15-13-18(14-16-20)12-11-17-7-3-1-4-8-17/h1-16H,(H,22,23)/b12-11+
InChIKeyNDXTUXYTEBZLLN-VAWYXSNFSA-N
XLogP5.13
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.46
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze phenyl-[4-[(E)-2-phenylethenyl]phenyl]-sulfanyl-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 70567885
CID 70567885
CID 70569152
CID 70569152
hydride;rubidium(1+);stilbene
CID 173437843
disodium;hydride;(E)-stilbene
CID 173089328
4-(2-phenylethenyl)aniline
CID 13265
4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenol
CID 52942315
4-(2-phenylethenyl)phenol
CID 157400568
N,N-diphenyl-4-[(E)-2-[3-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]aniline
CID 14366512
N,N-dimethyl-4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]aniline
CID 132506209
2-phenylethenethiol
CID 15971862
stilbene azide
CID 159769295
N,N-dimethylmethanamine;stilbene
CID 174368184

Frequently Asked Questions

What is the IUPAC name of phenyl-[4-[(E)-2-phenylethenyl]phenyl]-sulfanyl-sulfanylidene-λ5-phosphane?
The IUPAC name of phenyl-[4-[(E)-2-phenylethenyl]phenyl]-sulfanyl-sulfanylidene-λ5-phosphane (CID 101374018) is phenyl-[4-[(E)-2-phenylethenyl]phenyl]-sulfanyl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for phenyl-[4-[(E)-2-phenylethenyl]phenyl]-sulfanyl-sulfanylidene-λ5-phosphane?
The canonical SMILES for phenyl-[4-[(E)-2-phenylethenyl]phenyl]-sulfanyl-sulfanylidene-λ5-phosphane is S=P(S)(c1ccccc1)c1ccc(/C=C/c2ccccc2)cc1.
What is the InChIKey of phenyl-[4-[(E)-2-phenylethenyl]phenyl]-sulfanyl-sulfanylidene-λ5-phosphane?
The InChIKey is NDXTUXYTEBZLLN-VAWYXSNFSA-N. The full InChI is InChI=1S/C20H17PS2/c22-21(23,19-9-5-2-6-10-19)20-15-13-18(14-16-20)12-11-17-7-3-1-4-8-17/h1-16H,(H,22,23)/b12-11+.
What are the key properties of phenyl-[4-[(E)-2-phenylethenyl]phenyl]-sulfanyl-sulfanylidene-λ5-phosphane?
phenyl-[4-[(E)-2-phenylethenyl]phenyl]-sulfanyl-sulfanylidene-λ5-phosphane has a molecular weight of 352.46 g/mol, XLogP of 5.13, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[4-[(E)-2-phenylethenyl]phenyl]-sulfanyl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 101374018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).