(2-tert-butylphenyl)-(1-tert-butylpyridin-1-ium-2-yl)-diphenylsilane

C31H36NSi+ — CID 166029280

IUPAC(2-tert-butylphenyl)-(1-tert-butylpyridin-1-ium-2-yl)-diphenylsilane
SMILESCC(C)(C)c1ccccc1[Si](c1ccccc1)(c1ccccc1)c1cccc[n+]1C(C)(C)C
InChIInChI=1S/C31H36NSi/c1-30(2,3)27-21-13-14-22-28(27)33(25-17-9-7-10-18-25,26-19-11-8-12-20-26)29-23-15-16-24-32(29)31(4,5)6/h7-24H,1-6H3/q+1
InChIKeyMWEAKZSLCXKBTR-UHFFFAOYSA-N
MW450.72 g/mol
LogP4.40
Rot. Bonds4

About (2-tert-butylphenyl)-(1-tert-butylpyridin-1-ium-2-yl)-diphenylsilane

(2-tert-butylphenyl)-(1-tert-butylpyridin-1-ium-2-yl)-diphenylsilane (PubChem CID 166029280) has the molecular formula C31H36NSi+ and a molecular weight of 450.72 g/mol. Its IUPAC name is (2-tert-butylphenyl)-(1-tert-butylpyridin-1-ium-2-yl)-diphenylsilane.

Molecular Properties

Compound Name(2-tert-butylphenyl)-(1-tert-butylpyridin-1-ium-2-yl)-diphenylsilane
PubChem CID166029280
Molecular FormulaC31H36NSi+
Molecular Weight450.72 g/mol
Exact Mass450.26
IUPAC Name(2-tert-butylphenyl)-(1-tert-butylpyridin-1-ium-2-yl)-diphenylsilane
SMILESCC(C)(C)c1ccccc1[Si](c1ccccc1)(c1ccccc1)c1cccc[n+]1C(C)(C)C
InChIInChI=1S/C31H36NSi/c1-30(2,3)27-21-13-14-22-28(27)33(25-17-9-7-10-18-25,26-19-11-8-12-20-26)29-23-15-16-24-32(29)31(4,5)6/h7-24H,1-6H3/q+1
InChIKeyMWEAKZSLCXKBTR-UHFFFAOYSA-N
XLogP4.40
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.72
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-tert-butylphenyl)-(1-tert-butylpyridin-1-ium-2-yl)-diphenylsilane?
The IUPAC name of (2-tert-butylphenyl)-(1-tert-butylpyridin-1-ium-2-yl)-diphenylsilane (CID 166029280) is (2-tert-butylphenyl)-(1-tert-butylpyridin-1-ium-2-yl)-diphenylsilane.
What is the SMILES notation for (2-tert-butylphenyl)-(1-tert-butylpyridin-1-ium-2-yl)-diphenylsilane?
The canonical SMILES for (2-tert-butylphenyl)-(1-tert-butylpyridin-1-ium-2-yl)-diphenylsilane is CC(C)(C)c1ccccc1[Si](c1ccccc1)(c1ccccc1)c1cccc[n+]1C(C)(C)C.
What is the InChIKey of (2-tert-butylphenyl)-(1-tert-butylpyridin-1-ium-2-yl)-diphenylsilane?
The InChIKey is MWEAKZSLCXKBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36NSi/c1-30(2,3)27-21-13-14-22-28(27)33(25-17-9-7-10-18-25,26-19-11-8-12-20-26)29-23-15-16-24-32(29)31(4,5)6/h7-24H,1-6H3/q+1.
What are the key properties of (2-tert-butylphenyl)-(1-tert-butylpyridin-1-ium-2-yl)-diphenylsilane?
(2-tert-butylphenyl)-(1-tert-butylpyridin-1-ium-2-yl)-diphenylsilane has a molecular weight of 450.72 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butylphenyl)-(1-tert-butylpyridin-1-ium-2-yl)-diphenylsilane is sourced from PubChem (CID 166029280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).