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

C28H34ClFSi — CID 88962958

IUPACchloro-(3,5-ditert-butylphenyl)-(3,5-dimethylphenyl)-(4-fluorophenyl)silane
SMILESCc1cc(C)cc([Si](Cl)(c2ccc(F)cc2)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c1
InChIInChI=1S/C28H34ClFSi/c1-19-13-20(2)15-25(14-19)31(29,24-11-9-23(30)10-12-24)26-17-21(27(3,4)5)16-22(18-26)28(6,7)8/h9-18H,1-8H3
InChIKeyYIKXWXNQKCRPDG-UHFFFAOYSA-N
MW453.12 g/mol
LogP6.24
Rot. Bonds3

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

chloro-(3,5-ditert-butylphenyl)-(3,5-dimethylphenyl)-(4-fluorophenyl)silane (PubChem CID 88962958) has the molecular formula C28H34ClFSi and a molecular weight of 453.12 g/mol. Its IUPAC name is chloro-(3,5-ditert-butylphenyl)-(3,5-dimethylphenyl)-(4-fluorophenyl)silane.

Molecular Properties

Compound Namechloro-(3,5-ditert-butylphenyl)-(3,5-dimethylphenyl)-(4-fluorophenyl)silane
PubChem CID88962958
Molecular FormulaC28H34ClFSi
Molecular Weight453.12 g/mol
Exact Mass452.21
IUPAC Namechloro-(3,5-ditert-butylphenyl)-(3,5-dimethylphenyl)-(4-fluorophenyl)silane
SMILESCc1cc(C)cc([Si](Cl)(c2ccc(F)cc2)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c1
InChIInChI=1S/C28H34ClFSi/c1-19-13-20(2)15-25(14-19)31(29,24-11-9-23(30)10-12-24)26-17-21(27(3,4)5)16-22(18-26)28(6,7)8/h9-18H,1-8H3
InChIKeyYIKXWXNQKCRPDG-UHFFFAOYSA-N
XLogP6.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.12
LogP ≤ 56.24
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-fluorophenyl)silane?
The IUPAC name of chloro-(3,5-ditert-butylphenyl)-(3,5-dimethylphenyl)-(4-fluorophenyl)silane (CID 88962958) is chloro-(3,5-ditert-butylphenyl)-(3,5-dimethylphenyl)-(4-fluorophenyl)silane.
What is the SMILES notation for chloro-(3,5-ditert-butylphenyl)-(3,5-dimethylphenyl)-(4-fluorophenyl)silane?
The canonical SMILES for chloro-(3,5-ditert-butylphenyl)-(3,5-dimethylphenyl)-(4-fluorophenyl)silane is Cc1cc(C)cc([Si](Cl)(c2ccc(F)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-fluorophenyl)silane?
The InChIKey is YIKXWXNQKCRPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34ClFSi/c1-19-13-20(2)15-25(14-19)31(29,24-11-9-23(30)10-12-24)26-17-21(27(3,4)5)16-22(18-26)28(6,7)8/h9-18H,1-8H3.
What are the key properties of chloro-(3,5-ditert-butylphenyl)-(3,5-dimethylphenyl)-(4-fluorophenyl)silane?
chloro-(3,5-ditert-butylphenyl)-(3,5-dimethylphenyl)-(4-fluorophenyl)silane has a molecular weight of 453.12 g/mol, XLogP of 6.24, 3 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-fluorophenyl)silane is sourced from PubChem (CID 88962958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).