benzyl-[benzyl-(4-methylphenyl)-phenylsilyl]oxy-(4-methylphenyl)-phenylsilane

C40H38OSi2 — CID 20591729

IUPACbenzyl-[benzyl-(4-methylphenyl)-phenylsilyl]oxy-(4-methylphenyl)-phenylsilane
SMILESCc1ccc([Si](Cc2ccccc2)(O[Si](Cc2ccccc2)(c2ccccc2)c2ccc(C)cc2)c2ccccc2)cc1
InChIInChI=1S/C40H38OSi2/c1-33-23-27-39(28-24-33)42(37-19-11-5-12-20-37,31-35-15-7-3-8-16-35)41-43(38-21-13-6-14-22-38,32-36-17-9-4-10-18-36)40-29-25-34(2)26-30-40/h3-30H,31-32H2,1-2H3
InChIKeyMSNYKVQMFSYQSB-UHFFFAOYSA-N
MW590.92 g/mol
LogP6.70
Rot. Bonds10

About benzyl-[benzyl-(4-methylphenyl)-phenylsilyl]oxy-(4-methylphenyl)-phenylsilane

benzyl-[benzyl-(4-methylphenyl)-phenylsilyl]oxy-(4-methylphenyl)-phenylsilane (PubChem CID 20591729) has the molecular formula C40H38OSi2 and a molecular weight of 590.92 g/mol. Its IUPAC name is benzyl-[benzyl-(4-methylphenyl)-phenylsilyl]oxy-(4-methylphenyl)-phenylsilane.

Molecular Properties

Compound Namebenzyl-[benzyl-(4-methylphenyl)-phenylsilyl]oxy-(4-methylphenyl)-phenylsilane
PubChem CID20591729
Molecular FormulaC40H38OSi2
Molecular Weight590.92 g/mol
Exact Mass590.25
IUPAC Namebenzyl-[benzyl-(4-methylphenyl)-phenylsilyl]oxy-(4-methylphenyl)-phenylsilane
SMILESCc1ccc([Si](Cc2ccccc2)(O[Si](Cc2ccccc2)(c2ccccc2)c2ccc(C)cc2)c2ccccc2)cc1
InChIInChI=1S/C40H38OSi2/c1-33-23-27-39(28-24-33)42(37-19-11-5-12-20-37,31-35-15-7-3-8-16-35)41-43(38-21-13-6-14-22-38,32-36-17-9-4-10-18-36)40-29-25-34(2)26-30-40/h3-30H,31-32H2,1-2H3
InChIKeyMSNYKVQMFSYQSB-UHFFFAOYSA-N
XLogP6.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.92
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 benzyl-[benzyl-(4-methylphenyl)-phenylsilyl]oxy-(4-methylphenyl)-phenylsilane?
The IUPAC name of benzyl-[benzyl-(4-methylphenyl)-phenylsilyl]oxy-(4-methylphenyl)-phenylsilane (CID 20591729) is benzyl-[benzyl-(4-methylphenyl)-phenylsilyl]oxy-(4-methylphenyl)-phenylsilane.
What is the SMILES notation for benzyl-[benzyl-(4-methylphenyl)-phenylsilyl]oxy-(4-methylphenyl)-phenylsilane?
The canonical SMILES for benzyl-[benzyl-(4-methylphenyl)-phenylsilyl]oxy-(4-methylphenyl)-phenylsilane is Cc1ccc([Si](Cc2ccccc2)(O[Si](Cc2ccccc2)(c2ccccc2)c2ccc(C)cc2)c2ccccc2)cc1.
What is the InChIKey of benzyl-[benzyl-(4-methylphenyl)-phenylsilyl]oxy-(4-methylphenyl)-phenylsilane?
The InChIKey is MSNYKVQMFSYQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H38OSi2/c1-33-23-27-39(28-24-33)42(37-19-11-5-12-20-37,31-35-15-7-3-8-16-35)41-43(38-21-13-6-14-22-38,32-36-17-9-4-10-18-36)40-29-25-34(2)26-30-40/h3-30H,31-32H2,1-2H3.
What are the key properties of benzyl-[benzyl-(4-methylphenyl)-phenylsilyl]oxy-(4-methylphenyl)-phenylsilane?
benzyl-[benzyl-(4-methylphenyl)-phenylsilyl]oxy-(4-methylphenyl)-phenylsilane has a molecular weight of 590.92 g/mol, XLogP of 6.70, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-[benzyl-(4-methylphenyl)-phenylsilyl]oxy-(4-methylphenyl)-phenylsilane is sourced from PubChem (CID 20591729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).