propan-2-yl(propan-2-ylphosphanyl)phosphane;bis(triphenylstibane)

C42H46P2Sb2 — CID 177477519

IUPACpropan-2-yl(propan-2-ylphosphanyl)phosphane;bis(triphenylstibane)
SMILESCC(C)PPC(C)C.c1ccc([Sb](c2ccccc2)c2ccccc2)cc1.c1ccc([Sb](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C6H16P2.6C6H5.2Sb/c1-5(2)7-8-6(3)4;6*1-2-4-6-5-3-1;;/h5-8H,1-4H3;6*1-5H;;
InChIKeyNJIPUCAFXQNYAR-UHFFFAOYSA-N
MW856.30 g/mol
LogP7.48
Rot. Bonds9

About propan-2-yl(propan-2-ylphosphanyl)phosphane;bis(triphenylstibane)

propan-2-yl(propan-2-ylphosphanyl)phosphane;bis(triphenylstibane) (PubChem CID 177477519) has the molecular formula C42H46P2Sb2 and a molecular weight of 856.30 g/mol. Its IUPAC name is propan-2-yl(propan-2-ylphosphanyl)phosphane;bis(triphenylstibane).

Molecular Properties

Compound Namepropan-2-yl(propan-2-ylphosphanyl)phosphane;bis(triphenylstibane)
PubChem CID177477519
Molecular FormulaC42H46P2Sb2
Molecular Weight856.30 g/mol
Exact Mass854.12
IUPAC Namepropan-2-yl(propan-2-ylphosphanyl)phosphane;bis(triphenylstibane)
SMILESCC(C)PPC(C)C.c1ccc([Sb](c2ccccc2)c2ccccc2)cc1.c1ccc([Sb](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C6H16P2.6C6H5.2Sb/c1-5(2)7-8-6(3)4;6*1-2-4-6-5-3-1;;/h5-8H,1-4H3;6*1-5H;;
InChIKeyNJIPUCAFXQNYAR-UHFFFAOYSA-N
XLogP7.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500856.30
LogP ≤ 57.48
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 propan-2-yl(propan-2-ylphosphanyl)phosphane;bis(triphenylstibane)?
The IUPAC name of propan-2-yl(propan-2-ylphosphanyl)phosphane;bis(triphenylstibane) (CID 177477519) is propan-2-yl(propan-2-ylphosphanyl)phosphane;bis(triphenylstibane).
What is the SMILES notation for propan-2-yl(propan-2-ylphosphanyl)phosphane;bis(triphenylstibane)?
The canonical SMILES for propan-2-yl(propan-2-ylphosphanyl)phosphane;bis(triphenylstibane) is CC(C)PPC(C)C.c1ccc([Sb](c2ccccc2)c2ccccc2)cc1.c1ccc([Sb](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of propan-2-yl(propan-2-ylphosphanyl)phosphane;bis(triphenylstibane)?
The InChIKey is NJIPUCAFXQNYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16P2.6C6H5.2Sb/c1-5(2)7-8-6(3)4;6*1-2-4-6-5-3-1;;/h5-8H,1-4H3;6*1-5H;;.
What are the key properties of propan-2-yl(propan-2-ylphosphanyl)phosphane;bis(triphenylstibane)?
propan-2-yl(propan-2-ylphosphanyl)phosphane;bis(triphenylstibane) has a molecular weight of 856.30 g/mol, XLogP of 7.48, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl(propan-2-ylphosphanyl)phosphane;bis(triphenylstibane) is sourced from PubChem (CID 177477519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).