tris[2,6-di(propan-2-yl)phenyl]-difluoro-λ5-stibane

C36H51F2Sb — CID 166643188

IUPACtris[2,6-di(propan-2-yl)phenyl]-difluoro-λ5-stibane
SMILESCC(C)c1cccc(C(C)C)c1[Sb](F)(F)(c1c(C(C)C)cccc1C(C)C)c1c(C(C)C)cccc1C(C)C
InChIInChI=1S/3C12H17.2FH.Sb/c3*1-9(2)11-6-5-7-12(8-11)10(3)4;;;/h3*5-7,9-10H,1-4H3;2*1H;/q;;;;;+2/p-2
InChIKeyJJGKGGJRTAZPFR-UHFFFAOYSA-L
MW643.56 g/mol
LogP9.78
Rot. Bonds9

About tris[2,6-di(propan-2-yl)phenyl]-difluoro-λ5-stibane

tris[2,6-di(propan-2-yl)phenyl]-difluoro-λ5-stibane (PubChem CID 166643188) has the molecular formula C36H51F2Sb and a molecular weight of 643.56 g/mol. Its IUPAC name is tris[2,6-di(propan-2-yl)phenyl]-difluoro-λ5-stibane.

Molecular Properties

Compound Nametris[2,6-di(propan-2-yl)phenyl]-difluoro-λ5-stibane
PubChem CID166643188
Molecular FormulaC36H51F2Sb
Molecular Weight643.56 g/mol
Exact Mass642.30
IUPAC Nametris[2,6-di(propan-2-yl)phenyl]-difluoro-λ5-stibane
SMILESCC(C)c1cccc(C(C)C)c1[Sb](F)(F)(c1c(C(C)C)cccc1C(C)C)c1c(C(C)C)cccc1C(C)C
InChIInChI=1S/3C12H17.2FH.Sb/c3*1-9(2)11-6-5-7-12(8-11)10(3)4;;;/h3*5-7,9-10H,1-4H3;2*1H;/q;;;;;+2/p-2
InChIKeyJJGKGGJRTAZPFR-UHFFFAOYSA-L
XLogP9.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500643.56
LogP ≤ 59.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tris[2,6-di(propan-2-yl)phenyl]-difluoro-λ5-stibane?
The IUPAC name of tris[2,6-di(propan-2-yl)phenyl]-difluoro-λ5-stibane (CID 166643188) is tris[2,6-di(propan-2-yl)phenyl]-difluoro-λ5-stibane.
What is the SMILES notation for tris[2,6-di(propan-2-yl)phenyl]-difluoro-λ5-stibane?
The canonical SMILES for tris[2,6-di(propan-2-yl)phenyl]-difluoro-λ5-stibane is CC(C)c1cccc(C(C)C)c1[Sb](F)(F)(c1c(C(C)C)cccc1C(C)C)c1c(C(C)C)cccc1C(C)C.
What is the InChIKey of tris[2,6-di(propan-2-yl)phenyl]-difluoro-λ5-stibane?
The InChIKey is JJGKGGJRTAZPFR-UHFFFAOYSA-L. The full InChI is InChI=1S/3C12H17.2FH.Sb/c3*1-9(2)11-6-5-7-12(8-11)10(3)4;;;/h3*5-7,9-10H,1-4H3;2*1H;/q;;;;;+2/p-2.
What are the key properties of tris[2,6-di(propan-2-yl)phenyl]-difluoro-λ5-stibane?
tris[2,6-di(propan-2-yl)phenyl]-difluoro-λ5-stibane has a molecular weight of 643.56 g/mol, XLogP of 9.78, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris[2,6-di(propan-2-yl)phenyl]-difluoro-λ5-stibane is sourced from PubChem (CID 166643188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).