(1-benzylsilyl-1-phenylethyl)-bis(4-tert-butylphenyl)silane

C35H44Si2 — CID 175295859

IUPAC(1-benzylsilyl-1-phenylethyl)-bis(4-tert-butylphenyl)silane
SMILESCC(C)(C)c1ccc([SiH](c2ccc(C(C)(C)C)cc2)C(C)([SiH2]Cc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C35H44Si2/c1-33(2,3)28-18-22-31(23-19-28)37(32-24-20-29(21-25-32)34(4,5)6)35(7,30-16-12-9-13-17-30)36-26-27-14-10-8-11-15-27/h8-25,37H,26,36H2,1-7H3
InChIKeyBXEPXOLIOPDCHY-UHFFFAOYSA-N
MW520.91 g/mol
LogP6.45
Rot. Bonds7

About (1-benzylsilyl-1-phenylethyl)-bis(4-tert-butylphenyl)silane

(1-benzylsilyl-1-phenylethyl)-bis(4-tert-butylphenyl)silane (PubChem CID 175295859) has the molecular formula C35H44Si2 and a molecular weight of 520.91 g/mol. Its IUPAC name is (1-benzylsilyl-1-phenylethyl)-bis(4-tert-butylphenyl)silane.

Molecular Properties

Compound Name(1-benzylsilyl-1-phenylethyl)-bis(4-tert-butylphenyl)silane
PubChem CID175295859
Molecular FormulaC35H44Si2
Molecular Weight520.91 g/mol
Exact Mass520.30
IUPAC Name(1-benzylsilyl-1-phenylethyl)-bis(4-tert-butylphenyl)silane
SMILESCC(C)(C)c1ccc([SiH](c2ccc(C(C)(C)C)cc2)C(C)([SiH2]Cc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C35H44Si2/c1-33(2,3)28-18-22-31(23-19-28)37(32-24-20-29(21-25-32)34(4,5)6)35(7,30-16-12-9-13-17-30)36-26-27-14-10-8-11-15-27/h8-25,37H,26,36H2,1-7H3
InChIKeyBXEPXOLIOPDCHY-UHFFFAOYSA-N
XLogP6.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.91
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(1-benzylsilyl-1-phenylethyl)-diphenylsilane
CID 175295857
bis(4-tert-butylphenyl)-(1-phenyl-1-phenylsilylethyl)silane
CID 175378876
CID 171375456
CID 171375456
1-tert-butyl-4-(2,2-dibenzyl-3-phenylpropyl)benzene
CID 101188647
tert-butylbenzene;molecular nitrogen
CID 146464751
tert-butylbenzene;2,2-dimethylpropane;methane
CID 160959011
tert-butylbenzene;chloromethane;ethane
CID 91149652
benzene;tert-butylbenzene;bis(2,2-dimethylpropane);ethane
CID 158670454
tert-butylbenzene;methanimine
CID 174908280
tert-butylbenzene;hexane
CID 175254424
1-(4-tert-butylphenyl)-1-phenylpropan-1-amine
CID 63408284
tert-butylbenzene;N,N-dimethylmethanamine;ethane
CID 158234617

Frequently Asked Questions

What is the IUPAC name of (1-benzylsilyl-1-phenylethyl)-bis(4-tert-butylphenyl)silane?
The IUPAC name of (1-benzylsilyl-1-phenylethyl)-bis(4-tert-butylphenyl)silane (CID 175295859) is (1-benzylsilyl-1-phenylethyl)-bis(4-tert-butylphenyl)silane.
What is the SMILES notation for (1-benzylsilyl-1-phenylethyl)-bis(4-tert-butylphenyl)silane?
The canonical SMILES for (1-benzylsilyl-1-phenylethyl)-bis(4-tert-butylphenyl)silane is CC(C)(C)c1ccc([SiH](c2ccc(C(C)(C)C)cc2)C(C)([SiH2]Cc2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (1-benzylsilyl-1-phenylethyl)-bis(4-tert-butylphenyl)silane?
The InChIKey is BXEPXOLIOPDCHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H44Si2/c1-33(2,3)28-18-22-31(23-19-28)37(32-24-20-29(21-25-32)34(4,5)6)35(7,30-16-12-9-13-17-30)36-26-27-14-10-8-11-15-27/h8-25,37H,26,36H2,1-7H3.
What are the key properties of (1-benzylsilyl-1-phenylethyl)-bis(4-tert-butylphenyl)silane?
(1-benzylsilyl-1-phenylethyl)-bis(4-tert-butylphenyl)silane has a molecular weight of 520.91 g/mol, XLogP of 6.45, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylsilyl-1-phenylethyl)-bis(4-tert-butylphenyl)silane is sourced from PubChem (CID 175295859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).