(4-methylphenyl)-diphenyl-triphenylsilylsilane

C37H32Si2 — CID 4518674

IUPAC(4-methylphenyl)-diphenyl-triphenylsilylsilane
SMILESCc1ccc([Si](c2ccccc2)(c2ccccc2)[Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C37H32Si2/c1-31-27-29-37(30-28-31)39(35-23-13-5-14-24-35,36-25-15-6-16-26-36)38(32-17-7-2-8-18-32,33-19-9-3-10-20-33)34-21-11-4-12-22-34/h2-30H,1H3
InChIKeyJLILIIPSKZCVRU-UHFFFAOYSA-N
MW532.84 g/mol
LogP4.71
Rot. Bonds7

About (4-methylphenyl)-diphenyl-triphenylsilylsilane

(4-methylphenyl)-diphenyl-triphenylsilylsilane (PubChem CID 4518674) has the molecular formula C37H32Si2 and a molecular weight of 532.84 g/mol. Its IUPAC name is (4-methylphenyl)-diphenyl-triphenylsilylsilane.

Molecular Properties

Compound Name(4-methylphenyl)-diphenyl-triphenylsilylsilane
PubChem CID4518674
Molecular FormulaC37H32Si2
Molecular Weight532.84 g/mol
Exact Mass532.20
IUPAC Name(4-methylphenyl)-diphenyl-triphenylsilylsilane
SMILESCc1ccc([Si](c2ccccc2)(c2ccccc2)[Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C37H32Si2/c1-31-27-29-37(30-28-31)39(35-23-13-5-14-24-35,36-25-15-6-16-26-36)38(32-17-7-2-8-18-32,33-19-9-3-10-20-33)34-21-11-4-12-22-34/h2-30H,1H3
InChIKeyJLILIIPSKZCVRU-UHFFFAOYSA-N
XLogP4.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.84
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-diphenyl-triphenylsilylsilane?
The IUPAC name of (4-methylphenyl)-diphenyl-triphenylsilylsilane (CID 4518674) is (4-methylphenyl)-diphenyl-triphenylsilylsilane.
What is the SMILES notation for (4-methylphenyl)-diphenyl-triphenylsilylsilane?
The canonical SMILES for (4-methylphenyl)-diphenyl-triphenylsilylsilane is Cc1ccc([Si](c2ccccc2)(c2ccccc2)[Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (4-methylphenyl)-diphenyl-triphenylsilylsilane?
The InChIKey is JLILIIPSKZCVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H32Si2/c1-31-27-29-37(30-28-31)39(35-23-13-5-14-24-35,36-25-15-6-16-26-36)38(32-17-7-2-8-18-32,33-19-9-3-10-20-33)34-21-11-4-12-22-34/h2-30H,1H3.
What are the key properties of (4-methylphenyl)-diphenyl-triphenylsilylsilane?
(4-methylphenyl)-diphenyl-triphenylsilylsilane has a molecular weight of 532.84 g/mol, XLogP of 4.71, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-diphenyl-triphenylsilylsilane is sourced from PubChem (CID 4518674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).