bis(3-bromo-5-tert-butylphenyl)-methyl-phenylsilane

C27H32Br2Si — CID 162470552

IUPACbis(3-bromo-5-tert-butylphenyl)-methyl-phenylsilane
SMILESCC(C)(C)c1cc(Br)cc([Si](C)(c2ccccc2)c2cc(Br)cc(C(C)(C)C)c2)c1
InChIInChI=1S/C27H32Br2Si/c1-26(2,3)19-13-21(28)17-24(15-19)30(7,23-11-9-8-10-12-23)25-16-20(27(4,5)6)14-22(29)18-25/h8-18H,1-7H3
InChIKeyCWWVBLYLTPCVQL-UHFFFAOYSA-N
MW544.45 g/mol
LogP6.91
Rot. Bonds3

About bis(3-bromo-5-tert-butylphenyl)-methyl-phenylsilane

bis(3-bromo-5-tert-butylphenyl)-methyl-phenylsilane (PubChem CID 162470552) has the molecular formula C27H32Br2Si and a molecular weight of 544.45 g/mol. Its IUPAC name is bis(3-bromo-5-tert-butylphenyl)-methyl-phenylsilane.

Molecular Properties

Compound Namebis(3-bromo-5-tert-butylphenyl)-methyl-phenylsilane
PubChem CID162470552
Molecular FormulaC27H32Br2Si
Molecular Weight544.45 g/mol
Exact Mass542.06
IUPAC Namebis(3-bromo-5-tert-butylphenyl)-methyl-phenylsilane
SMILESCC(C)(C)c1cc(Br)cc([Si](C)(c2ccccc2)c2cc(Br)cc(C(C)(C)C)c2)c1
InChIInChI=1S/C27H32Br2Si/c1-26(2,3)19-13-21(28)17-24(15-19)30(7,23-11-9-8-10-12-23)25-16-20(27(4,5)6)14-22(29)18-25/h8-18H,1-7H3
InChIKeyCWWVBLYLTPCVQL-UHFFFAOYSA-N
XLogP6.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.45
LogP ≤ 56.91
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 bis(3-bromo-5-tert-butylphenyl)-methyl-phenylsilane?
The IUPAC name of bis(3-bromo-5-tert-butylphenyl)-methyl-phenylsilane (CID 162470552) is bis(3-bromo-5-tert-butylphenyl)-methyl-phenylsilane.
What is the SMILES notation for bis(3-bromo-5-tert-butylphenyl)-methyl-phenylsilane?
The canonical SMILES for bis(3-bromo-5-tert-butylphenyl)-methyl-phenylsilane is CC(C)(C)c1cc(Br)cc([Si](C)(c2ccccc2)c2cc(Br)cc(C(C)(C)C)c2)c1.
What is the InChIKey of bis(3-bromo-5-tert-butylphenyl)-methyl-phenylsilane?
The InChIKey is CWWVBLYLTPCVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32Br2Si/c1-26(2,3)19-13-21(28)17-24(15-19)30(7,23-11-9-8-10-12-23)25-16-20(27(4,5)6)14-22(29)18-25/h8-18H,1-7H3.
What are the key properties of bis(3-bromo-5-tert-butylphenyl)-methyl-phenylsilane?
bis(3-bromo-5-tert-butylphenyl)-methyl-phenylsilane has a molecular weight of 544.45 g/mol, XLogP of 6.91, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-bromo-5-tert-butylphenyl)-methyl-phenylsilane is sourced from PubChem (CID 162470552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).