benzhydryloxy-diphenyl-sulfanylidene-lambda5-phosphane

C25H21OPS — CID 12868443

IUPACbenzhydryloxy-diphenyl-sulfanylidene-lambda5-phosphane
SMILESS=P(OC(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H21OPS/c28-27(23-17-9-3-10-18-23,24-19-11-4-12-20-24)26-25(21-13-5-1-6-14-21)22-15-7-2-8-16-22/h1-20,25H
InChIKeySGXMOECGAJLVKN-UHFFFAOYSA-N
MW400.48 g/mol
LogP5.84
Rot. Bonds6

About benzhydryloxy-diphenyl-sulfanylidene-lambda5-phosphane

benzhydryloxy-diphenyl-sulfanylidene-lambda5-phosphane (PubChem CID 12868443) has the molecular formula C25H21OPS and a molecular weight of 400.48 g/mol. Its IUPAC name is benzhydryloxy-diphenyl-sulfanylidene-lambda5-phosphane.

Molecular Properties

Compound Namebenzhydryloxy-diphenyl-sulfanylidene-lambda5-phosphane
PubChem CID12868443
Molecular FormulaC25H21OPS
Molecular Weight400.48 g/mol
Exact Mass400.11
IUPAC Namebenzhydryloxy-diphenyl-sulfanylidene-lambda5-phosphane
SMILESS=P(OC(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H21OPS/c28-27(23-17-9-3-10-18-23,24-19-11-4-12-20-24)26-25(21-13-5-1-6-14-21)22-15-7-2-8-16-22/h1-20,25H
InChIKeySGXMOECGAJLVKN-UHFFFAOYSA-N
XLogP5.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.48
LogP ≤ 55.84
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 benzhydryloxy-diphenyl-sulfanylidene-lambda5-phosphane?
The IUPAC name of benzhydryloxy-diphenyl-sulfanylidene-lambda5-phosphane (CID 12868443) is benzhydryloxy-diphenyl-sulfanylidene-lambda5-phosphane.
What is the SMILES notation for benzhydryloxy-diphenyl-sulfanylidene-lambda5-phosphane?
The canonical SMILES for benzhydryloxy-diphenyl-sulfanylidene-lambda5-phosphane is S=P(OC(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of benzhydryloxy-diphenyl-sulfanylidene-lambda5-phosphane?
The InChIKey is SGXMOECGAJLVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21OPS/c28-27(23-17-9-3-10-18-23,24-19-11-4-12-20-24)26-25(21-13-5-1-6-14-21)22-15-7-2-8-16-22/h1-20,25H.
What are the key properties of benzhydryloxy-diphenyl-sulfanylidene-lambda5-phosphane?
benzhydryloxy-diphenyl-sulfanylidene-lambda5-phosphane has a molecular weight of 400.48 g/mol, XLogP of 5.84, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzhydryloxy-diphenyl-sulfanylidene-lambda5-phosphane is sourced from PubChem (CID 12868443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).