[(E)-1-diphenylphosphorylprop-1-en-2-yl]-diphenyl-sulfanylidene-λ5-phosphane

C27H24OP2S — CID 54762904

IUPAC[(E)-1-diphenylphosphorylprop-1-en-2-yl]-diphenyl-sulfanylidene-λ5-phosphane
SMILESC/C(=C\P(=O)(c1ccccc1)c1ccccc1)P(=S)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H24OP2S/c1-23(30(31,26-18-10-4-11-19-26)27-20-12-5-13-21-27)22-29(28,24-14-6-2-7-15-24)25-16-8-3-9-17-25/h2-22H,1H3/b23-22+
InChIKeyAWMCRWUPRCKZED-GHVJWSGMSA-N
MW458.50 g/mol
LogP5.99
Rot. Bonds6

About [(E)-1-diphenylphosphorylprop-1-en-2-yl]-diphenyl-sulfanylidene-λ5-phosphane

[(E)-1-diphenylphosphorylprop-1-en-2-yl]-diphenyl-sulfanylidene-λ5-phosphane (PubChem CID 54762904) has the molecular formula C27H24OP2S and a molecular weight of 458.50 g/mol. Its IUPAC name is [(E)-1-diphenylphosphorylprop-1-en-2-yl]-diphenyl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Name[(E)-1-diphenylphosphorylprop-1-en-2-yl]-diphenyl-sulfanylidene-λ5-phosphane
PubChem CID54762904
Molecular FormulaC27H24OP2S
Molecular Weight458.50 g/mol
Exact Mass458.10
IUPAC Name[(E)-1-diphenylphosphorylprop-1-en-2-yl]-diphenyl-sulfanylidene-λ5-phosphane
SMILESC/C(=C\P(=O)(c1ccccc1)c1ccccc1)P(=S)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H24OP2S/c1-23(30(31,26-18-10-4-11-19-26)27-20-12-5-13-21-27)22-29(28,24-14-6-2-7-15-24)25-16-8-3-9-17-25/h2-22H,1H3/b23-22+
InChIKeyAWMCRWUPRCKZED-GHVJWSGMSA-N
XLogP5.99
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.50
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E)-1-diphenylphosphorylprop-1-en-2-yl]-diphenyl-sulfanylidene-λ5-phosphane?
The IUPAC name of [(E)-1-diphenylphosphorylprop-1-en-2-yl]-diphenyl-sulfanylidene-λ5-phosphane (CID 54762904) is [(E)-1-diphenylphosphorylprop-1-en-2-yl]-diphenyl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for [(E)-1-diphenylphosphorylprop-1-en-2-yl]-diphenyl-sulfanylidene-λ5-phosphane?
The canonical SMILES for [(E)-1-diphenylphosphorylprop-1-en-2-yl]-diphenyl-sulfanylidene-λ5-phosphane is C/C(=C\P(=O)(c1ccccc1)c1ccccc1)P(=S)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(E)-1-diphenylphosphorylprop-1-en-2-yl]-diphenyl-sulfanylidene-λ5-phosphane?
The InChIKey is AWMCRWUPRCKZED-GHVJWSGMSA-N. The full InChI is InChI=1S/C27H24OP2S/c1-23(30(31,26-18-10-4-11-19-26)27-20-12-5-13-21-27)22-29(28,24-14-6-2-7-15-24)25-16-8-3-9-17-25/h2-22H,1H3/b23-22+.
What are the key properties of [(E)-1-diphenylphosphorylprop-1-en-2-yl]-diphenyl-sulfanylidene-λ5-phosphane?
[(E)-1-diphenylphosphorylprop-1-en-2-yl]-diphenyl-sulfanylidene-λ5-phosphane has a molecular weight of 458.50 g/mol, XLogP of 5.99, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-diphenylphosphorylprop-1-en-2-yl]-diphenyl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 54762904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).