[(E)-2-diphenylphosphinothioyl-1-phenylethenyl]-diphenyl-sulfanylidene-λ5-phosphane

C32H26P2S2 — CID 11706501

IUPAC[(E)-2-diphenylphosphinothioyl-1-phenylethenyl]-diphenyl-sulfanylidene-λ5-phosphane
SMILESS=P(/C=C(\c1ccccc1)P(=S)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H26P2S2/c35-33(28-18-8-2-9-19-28,29-20-10-3-11-21-29)26-32(27-16-6-1-7-17-27)34(36,30-22-12-4-13-23-30)31-24-14-5-15-25-31/h1-26H/b32-26+
InChIKeyFJYMMAUDWCRZAA-HMZBKAONSA-N
MW536.64 g/mol
LogP7.25
Rot. Bonds7

About [(E)-2-diphenylphosphinothioyl-1-phenylethenyl]-diphenyl-sulfanylidene-λ5-phosphane

[(E)-2-diphenylphosphinothioyl-1-phenylethenyl]-diphenyl-sulfanylidene-λ5-phosphane (PubChem CID 11706501) has the molecular formula C32H26P2S2 and a molecular weight of 536.64 g/mol. Its IUPAC name is [(E)-2-diphenylphosphinothioyl-1-phenylethenyl]-diphenyl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Name[(E)-2-diphenylphosphinothioyl-1-phenylethenyl]-diphenyl-sulfanylidene-λ5-phosphane
PubChem CID11706501
Molecular FormulaC32H26P2S2
Molecular Weight536.64 g/mol
Exact Mass536.10
IUPAC Name[(E)-2-diphenylphosphinothioyl-1-phenylethenyl]-diphenyl-sulfanylidene-λ5-phosphane
SMILESS=P(/C=C(\c1ccccc1)P(=S)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H26P2S2/c35-33(28-18-8-2-9-19-28,29-20-10-3-11-21-29)26-32(27-16-6-1-7-17-27)34(36,30-22-12-4-13-23-30)31-24-14-5-15-25-31/h1-26H/b32-26+
InChIKeyFJYMMAUDWCRZAA-HMZBKAONSA-N
XLogP7.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.64
LogP ≤ 57.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(Z)-1-diphenylphosphinothioylpent-1-en-2-yl]-diphenyl-sulfanylidene-λ5-phosphane
CID 102184006
diphenylphosphinothioyl(phenyl)methanone
CID 54293875
[(E)-1-diphenylphosphorylprop-1-en-2-yl]-diphenyl-sulfanylidene-λ5-phosphane
CID 54762904
oxido-diphenyl-sulfanylidene-λ5-phosphane
CID 3382215
[(1E)-4-methylpenta-1,3-dienyl]-diphenyl-sulfanylidene-λ5-phosphane
CID 12608266
CID 66766975
CID 66766975
phenylphosphonic acid;terbium
CID 175289814
phenylphosphonic acid;phosphane
CID 157219344
hydroxy-diphenyl-sulfanylidene-λ5-phosphane;hydrochloride
CID 172809471
diphenyl-sulfanylidene-[(Z)-2-trimethylsilylethenyl]-λ5-phosphane
CID 122379303
methyl-phenyl-sulfanyl-sulfanylidene-lambda5-phosphane
CID 586594
S-diphenylphosphinothioyl benzenecarbothioate
CID 10861163

Frequently Asked Questions

What is the IUPAC name of [(E)-2-diphenylphosphinothioyl-1-phenylethenyl]-diphenyl-sulfanylidene-λ5-phosphane?
The IUPAC name of [(E)-2-diphenylphosphinothioyl-1-phenylethenyl]-diphenyl-sulfanylidene-λ5-phosphane (CID 11706501) is [(E)-2-diphenylphosphinothioyl-1-phenylethenyl]-diphenyl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for [(E)-2-diphenylphosphinothioyl-1-phenylethenyl]-diphenyl-sulfanylidene-λ5-phosphane?
The canonical SMILES for [(E)-2-diphenylphosphinothioyl-1-phenylethenyl]-diphenyl-sulfanylidene-λ5-phosphane is S=P(/C=C(\c1ccccc1)P(=S)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(E)-2-diphenylphosphinothioyl-1-phenylethenyl]-diphenyl-sulfanylidene-λ5-phosphane?
The InChIKey is FJYMMAUDWCRZAA-HMZBKAONSA-N. The full InChI is InChI=1S/C32H26P2S2/c35-33(28-18-8-2-9-19-28,29-20-10-3-11-21-29)26-32(27-16-6-1-7-17-27)34(36,30-22-12-4-13-23-30)31-24-14-5-15-25-31/h1-26H/b32-26+.
What are the key properties of [(E)-2-diphenylphosphinothioyl-1-phenylethenyl]-diphenyl-sulfanylidene-λ5-phosphane?
[(E)-2-diphenylphosphinothioyl-1-phenylethenyl]-diphenyl-sulfanylidene-λ5-phosphane has a molecular weight of 536.64 g/mol, XLogP of 7.25, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-diphenylphosphinothioyl-1-phenylethenyl]-diphenyl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 11706501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).