bis(4-tert-butylphenyl)-(1-phenyl-1-phenylsilylethyl)silane

C34H42Si2 — CID 175378876

IUPACbis(4-tert-butylphenyl)-(1-phenyl-1-phenylsilylethyl)silane
SMILESCC(C)(C)c1ccc([SiH](c2ccc(C(C)(C)C)cc2)C(C)([SiH2]c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C34H42Si2/c1-32(2,3)26-18-22-30(23-19-26)36(31-24-20-27(21-25-31)33(4,5)6)34(7,28-14-10-8-11-15-28)35-29-16-12-9-13-17-29/h8-25,36H,35H2,1-7H3
InChIKeyROQNHSQUYSJFLK-UHFFFAOYSA-N
MW506.88 g/mol
LogP5.57
Rot. Bonds6

About bis(4-tert-butylphenyl)-(1-phenyl-1-phenylsilylethyl)silane

bis(4-tert-butylphenyl)-(1-phenyl-1-phenylsilylethyl)silane (PubChem CID 175378876) has the molecular formula C34H42Si2 and a molecular weight of 506.88 g/mol. Its IUPAC name is bis(4-tert-butylphenyl)-(1-phenyl-1-phenylsilylethyl)silane.

Molecular Properties

Compound Namebis(4-tert-butylphenyl)-(1-phenyl-1-phenylsilylethyl)silane
PubChem CID175378876
Molecular FormulaC34H42Si2
Molecular Weight506.88 g/mol
Exact Mass506.28
IUPAC Namebis(4-tert-butylphenyl)-(1-phenyl-1-phenylsilylethyl)silane
SMILESCC(C)(C)c1ccc([SiH](c2ccc(C(C)(C)C)cc2)C(C)([SiH2]c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C34H42Si2/c1-32(2,3)26-18-22-30(23-19-26)36(31-24-20-27(21-25-31)33(4,5)6)34(7,28-14-10-8-11-15-28)35-29-16-12-9-13-17-29/h8-25,36H,35H2,1-7H3
InChIKeyROQNHSQUYSJFLK-UHFFFAOYSA-N
XLogP5.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.88
LogP ≤ 55.57
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 bis(4-tert-butylphenyl)-(1-phenyl-1-phenylsilylethyl)silane?
The IUPAC name of bis(4-tert-butylphenyl)-(1-phenyl-1-phenylsilylethyl)silane (CID 175378876) is bis(4-tert-butylphenyl)-(1-phenyl-1-phenylsilylethyl)silane.
What is the SMILES notation for bis(4-tert-butylphenyl)-(1-phenyl-1-phenylsilylethyl)silane?
The canonical SMILES for bis(4-tert-butylphenyl)-(1-phenyl-1-phenylsilylethyl)silane is CC(C)(C)c1ccc([SiH](c2ccc(C(C)(C)C)cc2)C(C)([SiH2]c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of bis(4-tert-butylphenyl)-(1-phenyl-1-phenylsilylethyl)silane?
The InChIKey is ROQNHSQUYSJFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H42Si2/c1-32(2,3)26-18-22-30(23-19-26)36(31-24-20-27(21-25-31)33(4,5)6)34(7,28-14-10-8-11-15-28)35-29-16-12-9-13-17-29/h8-25,36H,35H2,1-7H3.
What are the key properties of bis(4-tert-butylphenyl)-(1-phenyl-1-phenylsilylethyl)silane?
bis(4-tert-butylphenyl)-(1-phenyl-1-phenylsilylethyl)silane has a molecular weight of 506.88 g/mol, XLogP of 5.57, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-tert-butylphenyl)-(1-phenyl-1-phenylsilylethyl)silane is sourced from PubChem (CID 175378876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).