chloro-(3,5-ditert-butylphenyl)-(3,5-dimethylphenyl)-(4-trimethylsilylphenyl)silane

C31H43ClSi2 — CID 88962756

IUPACchloro-(3,5-ditert-butylphenyl)-(3,5-dimethylphenyl)-(4-trimethylsilylphenyl)silane
SMILESCc1cc(C)cc([Si](Cl)(c2ccc([Si](C)(C)C)cc2)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c1
InChIInChI=1S/C31H43ClSi2/c1-22-16-23(2)18-28(17-22)34(32,27-14-12-26(13-15-27)33(9,10)11)29-20-24(30(3,4)5)19-25(21-29)31(6,7)8/h12-21H,1-11H3
InChIKeyNXNWEAQOILHBPG-UHFFFAOYSA-N
MW507.31 g/mol
LogP6.65
Rot. Bonds4

About chloro-(3,5-ditert-butylphenyl)-(3,5-dimethylphenyl)-(4-trimethylsilylphenyl)silane

chloro-(3,5-ditert-butylphenyl)-(3,5-dimethylphenyl)-(4-trimethylsilylphenyl)silane (PubChem CID 88962756) has the molecular formula C31H43ClSi2 and a molecular weight of 507.31 g/mol. Its IUPAC name is chloro-(3,5-ditert-butylphenyl)-(3,5-dimethylphenyl)-(4-trimethylsilylphenyl)silane.

Molecular Properties

Compound Namechloro-(3,5-ditert-butylphenyl)-(3,5-dimethylphenyl)-(4-trimethylsilylphenyl)silane
PubChem CID88962756
Molecular FormulaC31H43ClSi2
Molecular Weight507.31 g/mol
Exact Mass506.26
IUPAC Namechloro-(3,5-ditert-butylphenyl)-(3,5-dimethylphenyl)-(4-trimethylsilylphenyl)silane
SMILESCc1cc(C)cc([Si](Cl)(c2ccc([Si](C)(C)C)cc2)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c1
InChIInChI=1S/C31H43ClSi2/c1-22-16-23(2)18-28(17-22)34(32,27-14-12-26(13-15-27)33(9,10)11)29-20-24(30(3,4)5)19-25(21-29)31(6,7)8/h12-21H,1-11H3
InChIKeyNXNWEAQOILHBPG-UHFFFAOYSA-N
XLogP6.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.31
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chloro-(3,5-ditert-butylphenyl)-(3,5-dimethylphenyl)-(4-trimethylsilylphenyl)silane?
The IUPAC name of chloro-(3,5-ditert-butylphenyl)-(3,5-dimethylphenyl)-(4-trimethylsilylphenyl)silane (CID 88962756) is chloro-(3,5-ditert-butylphenyl)-(3,5-dimethylphenyl)-(4-trimethylsilylphenyl)silane.
What is the SMILES notation for chloro-(3,5-ditert-butylphenyl)-(3,5-dimethylphenyl)-(4-trimethylsilylphenyl)silane?
The canonical SMILES for chloro-(3,5-ditert-butylphenyl)-(3,5-dimethylphenyl)-(4-trimethylsilylphenyl)silane is Cc1cc(C)cc([Si](Cl)(c2ccc([Si](C)(C)C)cc2)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c1.
What is the InChIKey of chloro-(3,5-ditert-butylphenyl)-(3,5-dimethylphenyl)-(4-trimethylsilylphenyl)silane?
The InChIKey is NXNWEAQOILHBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H43ClSi2/c1-22-16-23(2)18-28(17-22)34(32,27-14-12-26(13-15-27)33(9,10)11)29-20-24(30(3,4)5)19-25(21-29)31(6,7)8/h12-21H,1-11H3.
What are the key properties of chloro-(3,5-ditert-butylphenyl)-(3,5-dimethylphenyl)-(4-trimethylsilylphenyl)silane?
chloro-(3,5-ditert-butylphenyl)-(3,5-dimethylphenyl)-(4-trimethylsilylphenyl)silane has a molecular weight of 507.31 g/mol, XLogP of 6.65, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-(3,5-ditert-butylphenyl)-(3,5-dimethylphenyl)-(4-trimethylsilylphenyl)silane is sourced from PubChem (CID 88962756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).