trimethyl-[4-[3-(4-methylphenyl)phenyl]phenyl]silane

C22H24Si — CID 58390070

IUPACtrimethyl-[4-[3-(4-methylphenyl)phenyl]phenyl]silane
SMILESCc1ccc(-c2cccc(-c3ccc([Si](C)(C)C)cc3)c2)cc1
InChIInChI=1S/C22H24Si/c1-17-8-10-18(11-9-17)20-6-5-7-21(16-20)19-12-14-22(15-13-19)23(2,3)4/h5-16H,1-4H3
InChIKeyPZSFGIYUJADWGX-UHFFFAOYSA-N
MW316.52 g/mol
LogP5.87
Rot. Bonds3

About trimethyl-[4-[3-(4-methylphenyl)phenyl]phenyl]silane

trimethyl-[4-[3-(4-methylphenyl)phenyl]phenyl]silane (PubChem CID 58390070) has the molecular formula C22H24Si and a molecular weight of 316.52 g/mol. Its IUPAC name is trimethyl-[4-[3-(4-methylphenyl)phenyl]phenyl]silane.

Molecular Properties

Compound Nametrimethyl-[4-[3-(4-methylphenyl)phenyl]phenyl]silane
PubChem CID58390070
Molecular FormulaC22H24Si
Molecular Weight316.52 g/mol
Exact Mass316.16
IUPAC Nametrimethyl-[4-[3-(4-methylphenyl)phenyl]phenyl]silane
SMILESCc1ccc(-c2cccc(-c3ccc([Si](C)(C)C)cc3)c2)cc1
InChIInChI=1S/C22H24Si/c1-17-8-10-18(11-9-17)20-6-5-7-21(16-20)19-12-14-22(15-13-19)23(2,3)4/h5-16H,1-4H3
InChIKeyPZSFGIYUJADWGX-UHFFFAOYSA-N
XLogP5.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.52
LogP ≤ 55.87
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 trimethyl-[4-[3-(4-methylphenyl)phenyl]phenyl]silane?
The IUPAC name of trimethyl-[4-[3-(4-methylphenyl)phenyl]phenyl]silane (CID 58390070) is trimethyl-[4-[3-(4-methylphenyl)phenyl]phenyl]silane.
What is the SMILES notation for trimethyl-[4-[3-(4-methylphenyl)phenyl]phenyl]silane?
The canonical SMILES for trimethyl-[4-[3-(4-methylphenyl)phenyl]phenyl]silane is Cc1ccc(-c2cccc(-c3ccc([Si](C)(C)C)cc3)c2)cc1.
What is the InChIKey of trimethyl-[4-[3-(4-methylphenyl)phenyl]phenyl]silane?
The InChIKey is PZSFGIYUJADWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24Si/c1-17-8-10-18(11-9-17)20-6-5-7-21(16-20)19-12-14-22(15-13-19)23(2,3)4/h5-16H,1-4H3.
What are the key properties of trimethyl-[4-[3-(4-methylphenyl)phenyl]phenyl]silane?
trimethyl-[4-[3-(4-methylphenyl)phenyl]phenyl]silane has a molecular weight of 316.52 g/mol, XLogP of 5.87, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[4-[3-(4-methylphenyl)phenyl]phenyl]silane is sourced from PubChem (CID 58390070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).