tert-butylselanyl-diphenyl-selanylidene-λ5-phosphane

C16H19PSe2 — CID 102408982

IUPACtert-butylselanyl-diphenyl-selanylidene-λ5-phosphane
SMILESCC(C)(C)[Se]P(=[Se])(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H19PSe2/c1-16(2,3)19-17(18,14-10-6-4-7-11-14)15-12-8-5-9-13-15/h4-13H,1-3H3
InChIKeyLTWXBZSXJDRXNF-UHFFFAOYSA-N
MW400.22 g/mol
LogP3.58
Rot. Bonds3

About tert-butylselanyl-diphenyl-selanylidene-λ5-phosphane

tert-butylselanyl-diphenyl-selanylidene-λ5-phosphane (PubChem CID 102408982) has the molecular formula C16H19PSe2 and a molecular weight of 400.22 g/mol. Its IUPAC name is tert-butylselanyl-diphenyl-selanylidene-λ5-phosphane.

Molecular Properties

Compound Nametert-butylselanyl-diphenyl-selanylidene-λ5-phosphane
PubChem CID102408982
Molecular FormulaC16H19PSe2
Molecular Weight400.22 g/mol
Exact Mass401.96
IUPAC Nametert-butylselanyl-diphenyl-selanylidene-λ5-phosphane
SMILESCC(C)(C)[Se]P(=[Se])(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H19PSe2/c1-16(2,3)19-17(18,14-10-6-4-7-11-14)15-12-8-5-9-13-15/h4-13H,1-3H3
InChIKeyLTWXBZSXJDRXNF-UHFFFAOYSA-N
XLogP3.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.22
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butylselanyl-diphenyl-selanylidene-λ5-phosphane?
The IUPAC name of tert-butylselanyl-diphenyl-selanylidene-λ5-phosphane (CID 102408982) is tert-butylselanyl-diphenyl-selanylidene-λ5-phosphane.
What is the SMILES notation for tert-butylselanyl-diphenyl-selanylidene-λ5-phosphane?
The canonical SMILES for tert-butylselanyl-diphenyl-selanylidene-λ5-phosphane is CC(C)(C)[Se]P(=[Se])(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butylselanyl-diphenyl-selanylidene-λ5-phosphane?
The InChIKey is LTWXBZSXJDRXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19PSe2/c1-16(2,3)19-17(18,14-10-6-4-7-11-14)15-12-8-5-9-13-15/h4-13H,1-3H3.
What are the key properties of tert-butylselanyl-diphenyl-selanylidene-λ5-phosphane?
tert-butylselanyl-diphenyl-selanylidene-λ5-phosphane has a molecular weight of 400.22 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylselanyl-diphenyl-selanylidene-λ5-phosphane is sourced from PubChem (CID 102408982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).