(3-bromophenyl)-triphenylsilane

C48H38Br2Si2 — CID 158328099

IUPAC(3-bromophenyl)-triphenylsilane
SMILESBrc1cccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1.Brc1cccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/2C24H19BrSi/c2*25-20-11-10-18-24(19-20)26(21-12-4-1-5-13-21,22-14-6-2-7-15-22)23-16-8-3-9-17-23/h2*1-19H
InChIKeyGPQWAHQZCRGYMX-UHFFFAOYSA-N
MW830.81 g/mol
LogP7.65
Rot. Bonds8

About (3-bromophenyl)-triphenylsilane

(3-bromophenyl)-triphenylsilane (PubChem CID 158328099) has the molecular formula C48H38Br2Si2 and a molecular weight of 830.81 g/mol. Its IUPAC name is (3-bromophenyl)-triphenylsilane.

Molecular Properties

Compound Name(3-bromophenyl)-triphenylsilane
PubChem CID158328099
Molecular FormulaC48H38Br2Si2
Molecular Weight830.81 g/mol
Exact Mass828.09
IUPAC Name(3-bromophenyl)-triphenylsilane
SMILESBrc1cccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1.Brc1cccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/2C24H19BrSi/c2*25-20-11-10-18-24(19-20)26(21-12-4-1-5-13-21,22-14-6-2-7-15-22)23-16-8-3-9-17-23/h2*1-19H
InChIKeyGPQWAHQZCRGYMX-UHFFFAOYSA-N
XLogP7.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500830.81
LogP ≤ 57.65
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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Related Compounds

(3-bromophenyl)-tris(4-phenylphenyl)silane
CID 169002873
(3-bromo-5-triphenylsilylphenyl)-triphenylsilane
CID 87693758
bis(3-bromophenyl)-dimethylsilane
CID 86171325
bis(3-bromo-5-methylphenyl)-diphenylsilane
CID 158819587
1,3-dibromocyclodeca-1,3,5,7,9-pentaene
CID 144708258
(3-bromophenyl)-(1,3,4,6,7,8,9-heptadeuteriodibenzofuran-2-yl)-diphenylsilane
CID 177083272
[3-bromo-2,4,6-trideuterio-5-[diphenyl-(3-phenylphenyl)silyl]phenyl]-diphenyl-(3-phenylphenyl)silane
CID 168800170
3-[(3-aminophenyl)-diphenylsilyl]aniline
CID 139628514
(3-bromophenyl)-(5,6-dihydrobenzo[b][1]benzoxepin-1-yl)-diphenylsilane
CID 140937556
1,3-dibromo(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene
CID 54590075
(3-bromophenyl)-[3-bromo-4-[[4,5,5-trimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolan-4-yl]methyl]phenyl]-diphenylsilane
CID 174100526
(3-bromophenyl)-(9,9-dimethylxanthen-4-yl)-diphenylsilane
CID 140920039

Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl)-triphenylsilane?
The IUPAC name of (3-bromophenyl)-triphenylsilane (CID 158328099) is (3-bromophenyl)-triphenylsilane.
What is the SMILES notation for (3-bromophenyl)-triphenylsilane?
The canonical SMILES for (3-bromophenyl)-triphenylsilane is Brc1cccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1.Brc1cccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of (3-bromophenyl)-triphenylsilane?
The InChIKey is GPQWAHQZCRGYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H19BrSi/c2*25-20-11-10-18-24(19-20)26(21-12-4-1-5-13-21,22-14-6-2-7-15-22)23-16-8-3-9-17-23/h2*1-19H.
What are the key properties of (3-bromophenyl)-triphenylsilane?
(3-bromophenyl)-triphenylsilane has a molecular weight of 830.81 g/mol, XLogP of 7.65, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromophenyl)-triphenylsilane is sourced from PubChem (CID 158328099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).