bis(3-bromo-5-methylphenyl)-diphenylsilane

C26H22Br2Si — CID 158819587

IUPACbis(3-bromo-5-methylphenyl)-diphenylsilane
SMILESCc1cc(Br)cc([Si](c2ccccc2)(c2ccccc2)c2cc(C)cc(Br)c2)c1
InChIInChI=1S/C26H22Br2Si/c1-19-13-21(27)17-25(15-19)29(23-9-5-3-6-10-23,24-11-7-4-8-12-24)26-16-20(2)14-22(28)18-26/h3-18H,1-2H3
InChIKeyCAHHANDZHPBMCA-UHFFFAOYSA-N
MW522.36 g/mol
LogP5.21
Rot. Bonds4

About bis(3-bromo-5-methylphenyl)-diphenylsilane

bis(3-bromo-5-methylphenyl)-diphenylsilane (PubChem CID 158819587) has the molecular formula C26H22Br2Si and a molecular weight of 522.36 g/mol. Its IUPAC name is bis(3-bromo-5-methylphenyl)-diphenylsilane.

Molecular Properties

Compound Namebis(3-bromo-5-methylphenyl)-diphenylsilane
PubChem CID158819587
Molecular FormulaC26H22Br2Si
Molecular Weight522.36 g/mol
Exact Mass519.99
IUPAC Namebis(3-bromo-5-methylphenyl)-diphenylsilane
SMILESCc1cc(Br)cc([Si](c2ccccc2)(c2ccccc2)c2cc(C)cc(Br)c2)c1
InChIInChI=1S/C26H22Br2Si/c1-19-13-21(27)17-25(15-19)29(23-9-5-3-6-10-23,24-11-7-4-8-12-24)26-16-20(2)14-22(28)18-26/h3-18H,1-2H3
InChIKeyCAHHANDZHPBMCA-UHFFFAOYSA-N
XLogP5.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.36
LogP ≤ 55.21
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'}

Analyze bis(3-bromo-5-methylphenyl)-diphenylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-bromo-5-triphenylsilylphenyl)-triphenylsilane
CID 87693758
(3-bromophenyl)-triphenylsilane
CID 158328099
[3-[diphenyl-(3-phenylphenyl)silyl]-5-methylphenyl]-diphenyl-(3-phenylphenyl)silane
CID 170660172
[4-(4-methylphenyl)phenyl]-triphenylsilane
CID 123512514
(3-bromophenyl)-tris(4-phenylphenyl)silane
CID 169002873
[3-bromo-5-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-triphenylsilane
CID 162490214
1-bromo-3,5-dimethylbenzene;methane;1,3,5-trimethylbenzene
CID 159079937
1-bromo-3,5-dimethylbenzene;ethane
CID 144646164
bis(3-bromo-5-methylphenyl)-diphenyl-λ4-sulfane
CID 166786140
bis(3-bromophenyl)-dimethylsilane
CID 86171325
1-bromo-3-[difluoro(phenyl)methyl]-5-methylbenzene
CID 176801252
trimethyl-[4-[4-[4-[[4-[4-(4-methylphenyl)phenyl]phenyl]-diphenylsilyl]phenyl]phenyl]phenyl]silane
CID 158510434

Frequently Asked Questions

What is the IUPAC name of bis(3-bromo-5-methylphenyl)-diphenylsilane?
The IUPAC name of bis(3-bromo-5-methylphenyl)-diphenylsilane (CID 158819587) is bis(3-bromo-5-methylphenyl)-diphenylsilane.
What is the SMILES notation for bis(3-bromo-5-methylphenyl)-diphenylsilane?
The canonical SMILES for bis(3-bromo-5-methylphenyl)-diphenylsilane is Cc1cc(Br)cc([Si](c2ccccc2)(c2ccccc2)c2cc(C)cc(Br)c2)c1.
What is the InChIKey of bis(3-bromo-5-methylphenyl)-diphenylsilane?
The InChIKey is CAHHANDZHPBMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22Br2Si/c1-19-13-21(27)17-25(15-19)29(23-9-5-3-6-10-23,24-11-7-4-8-12-24)26-16-20(2)14-22(28)18-26/h3-18H,1-2H3.
What are the key properties of bis(3-bromo-5-methylphenyl)-diphenylsilane?
bis(3-bromo-5-methylphenyl)-diphenylsilane has a molecular weight of 522.36 g/mol, XLogP of 5.21, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-bromo-5-methylphenyl)-diphenylsilane is sourced from PubChem (CID 158819587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).