tribenzyl(tribenzylsilyl)silane

C42H42Si2 — CID 4650468

IUPACtribenzyl(tribenzylsilyl)silane
SMILESc1ccc(C[Si](Cc2ccccc2)(Cc2ccccc2)[Si](Cc2ccccc2)(Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C42H42Si2/c1-7-19-37(20-8-1)31-43(32-38-21-9-2-10-22-38,33-39-23-11-3-12-24-39)44(34-40-25-13-4-14-26-40,35-41-27-15-5-16-28-41)36-42-29-17-6-18-30-42/h1-30H,31-36H2
InChIKeyNNNWHMKWDRGYCK-UHFFFAOYSA-N
MW602.97 g/mol
LogP9.65
Rot. Bonds13

About tribenzyl(tribenzylsilyl)silane

tribenzyl(tribenzylsilyl)silane (PubChem CID 4650468) has the molecular formula C42H42Si2 and a molecular weight of 602.97 g/mol. Its IUPAC name is tribenzyl(tribenzylsilyl)silane.

Molecular Properties

Compound Nametribenzyl(tribenzylsilyl)silane
PubChem CID4650468
Molecular FormulaC42H42Si2
Molecular Weight602.97 g/mol
Exact Mass602.28
IUPAC Nametribenzyl(tribenzylsilyl)silane
SMILESc1ccc(C[Si](Cc2ccccc2)(Cc2ccccc2)[Si](Cc2ccccc2)(Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C42H42Si2/c1-7-19-37(20-8-1)31-43(32-38-21-9-2-10-22-38,33-39-23-11-3-12-24-39)44(34-40-25-13-4-14-26-40,35-41-27-15-5-16-28-41)36-42-29-17-6-18-30-42/h1-30H,31-36H2
InChIKeyNNNWHMKWDRGYCK-UHFFFAOYSA-N
XLogP9.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.97
LogP ≤ 59.65
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

benzyl-dihydroxy-methylsilane
CID 69074928
benzyl-fluoro-dimethylsilane
CID 11105764
magnesium;benzyl-methanidyl-dimethylsilane;chloride
CID 15733668
dibenzyl-methyl-phenylsilane
CID 71342171
dibenzyl-chloro-[2-[dibenzyl(chloro)silyl]ethynyl]silane
CID 139634018
CID 11981400
CID 11981400
N-[benzyl-(dimethylamino)-methylsilyl]-N-methylmethanamine
CID 5246647
benzene;2-phenylethylbenzene
CID 18982764
phenyl(113C)methylbenzene
CID 11194569
CID 173452029
CID 173452029
benzyl-[4-[benzyl(dimethyl)silyl]but-2-enyl]-dimethylsilane
CID 86114708
(2S)-2-benzyl-2H-azirine
CID 155642978

Frequently Asked Questions

What is the IUPAC name of tribenzyl(tribenzylsilyl)silane?
The IUPAC name of tribenzyl(tribenzylsilyl)silane (CID 4650468) is tribenzyl(tribenzylsilyl)silane.
What is the SMILES notation for tribenzyl(tribenzylsilyl)silane?
The canonical SMILES for tribenzyl(tribenzylsilyl)silane is c1ccc(C[Si](Cc2ccccc2)(Cc2ccccc2)[Si](Cc2ccccc2)(Cc2ccccc2)Cc2ccccc2)cc1.
What is the InChIKey of tribenzyl(tribenzylsilyl)silane?
The InChIKey is NNNWHMKWDRGYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H42Si2/c1-7-19-37(20-8-1)31-43(32-38-21-9-2-10-22-38,33-39-23-11-3-12-24-39)44(34-40-25-13-4-14-26-40,35-41-27-15-5-16-28-41)36-42-29-17-6-18-30-42/h1-30H,31-36H2.
What are the key properties of tribenzyl(tribenzylsilyl)silane?
tribenzyl(tribenzylsilyl)silane has a molecular weight of 602.97 g/mol, XLogP of 9.65, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tribenzyl(tribenzylsilyl)silane is sourced from PubChem (CID 4650468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).