tris[4-[tert-butyl(dimethyl)silyl]oxyphenyl]bismuthane

C36H57BiO3Si3 — CID 21469202

IUPACtris[4-[tert-butyl(dimethyl)silyl]oxyphenyl]bismuthane
SMILESCC(C)(C)[Si](C)(C)Oc1ccc([Bi](c2ccc(O[Si](C)(C)C(C)(C)C)cc2)c2ccc(O[Si](C)(C)C(C)(C)C)cc2)cc1
InChIInChI=1S/3C12H19OSi.Bi/c3*1-12(2,3)14(4,5)13-11-9-7-6-8-10-11;/h3*7-10H,1-5H3;
InChIKeyNOVPTUJIGKLOEX-UHFFFAOYSA-N
MW831.09 g/mol
LogP9.35
Rot. Bonds9

About tris[4-[tert-butyl(dimethyl)silyl]oxyphenyl]bismuthane

tris[4-[tert-butyl(dimethyl)silyl]oxyphenyl]bismuthane (PubChem CID 21469202) has the molecular formula C36H57BiO3Si3 and a molecular weight of 831.09 g/mol. Its IUPAC name is tris[4-[tert-butyl(dimethyl)silyl]oxyphenyl]bismuthane.

Molecular Properties

Compound Nametris[4-[tert-butyl(dimethyl)silyl]oxyphenyl]bismuthane
PubChem CID21469202
Molecular FormulaC36H57BiO3Si3
Molecular Weight831.09 g/mol
Exact Mass830.34
IUPAC Nametris[4-[tert-butyl(dimethyl)silyl]oxyphenyl]bismuthane
SMILESCC(C)(C)[Si](C)(C)Oc1ccc([Bi](c2ccc(O[Si](C)(C)C(C)(C)C)cc2)c2ccc(O[Si](C)(C)C(C)(C)C)cc2)cc1
InChIInChI=1S/3C12H19OSi.Bi/c3*1-12(2,3)14(4,5)13-11-9-7-6-8-10-11;/h3*7-10H,1-5H3;
InChIKeyNOVPTUJIGKLOEX-UHFFFAOYSA-N
XLogP9.35
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500831.09
LogP ≤ 59.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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[4-[tert-butyl(dimethyl)silyl]oxyphenyl]bismuthane?
The IUPAC name of tris[4-[tert-butyl(dimethyl)silyl]oxyphenyl]bismuthane (CID 21469202) is tris[4-[tert-butyl(dimethyl)silyl]oxyphenyl]bismuthane.
What is the SMILES notation for tris[4-[tert-butyl(dimethyl)silyl]oxyphenyl]bismuthane?
The canonical SMILES for tris[4-[tert-butyl(dimethyl)silyl]oxyphenyl]bismuthane is CC(C)(C)[Si](C)(C)Oc1ccc([Bi](c2ccc(O[Si](C)(C)C(C)(C)C)cc2)c2ccc(O[Si](C)(C)C(C)(C)C)cc2)cc1.
What is the InChIKey of tris[4-[tert-butyl(dimethyl)silyl]oxyphenyl]bismuthane?
The InChIKey is NOVPTUJIGKLOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/3C12H19OSi.Bi/c3*1-12(2,3)14(4,5)13-11-9-7-6-8-10-11;/h3*7-10H,1-5H3;.
What are the key properties of tris[4-[tert-butyl(dimethyl)silyl]oxyphenyl]bismuthane?
tris[4-[tert-butyl(dimethyl)silyl]oxyphenyl]bismuthane has a molecular weight of 831.09 g/mol, XLogP of 9.35, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris[4-[tert-butyl(dimethyl)silyl]oxyphenyl]bismuthane is sourced from PubChem (CID 21469202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).