(3-bromo-5-dibenzofuran-4-ylphenyl)-triphenylsilane

C36H25BrOSi — CID 86700950

IUPAC(3-bromo-5-dibenzofuran-4-ylphenyl)-triphenylsilane
SMILESBrc1cc(-c2cccc3c2oc2ccccc23)cc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C36H25BrOSi/c37-27-23-26(32-20-12-21-34-33-19-10-11-22-35(33)38-36(32)34)24-31(25-27)39(28-13-4-1-5-14-28,29-15-6-2-7-16-29)30-17-8-3-9-18-30/h1-25H
InChIKeyLUDUSCRAZSCWDP-UHFFFAOYSA-N
MW581.59 g/mol
LogP7.39
Rot. Bonds5

About (3-bromo-5-dibenzofuran-4-ylphenyl)-triphenylsilane

(3-bromo-5-dibenzofuran-4-ylphenyl)-triphenylsilane (PubChem CID 86700950) has the molecular formula C36H25BrOSi and a molecular weight of 581.59 g/mol. Its IUPAC name is (3-bromo-5-dibenzofuran-4-ylphenyl)-triphenylsilane.

Molecular Properties

Compound Name(3-bromo-5-dibenzofuran-4-ylphenyl)-triphenylsilane
PubChem CID86700950
Molecular FormulaC36H25BrOSi
Molecular Weight581.59 g/mol
Exact Mass580.09
IUPAC Name(3-bromo-5-dibenzofuran-4-ylphenyl)-triphenylsilane
SMILESBrc1cc(-c2cccc3c2oc2ccccc23)cc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C36H25BrOSi/c37-27-23-26(32-20-12-21-34-33-19-10-11-22-35(33)38-36(32)34)24-31(25-27)39(28-13-4-1-5-14-28,29-15-6-2-7-16-29)30-17-8-3-9-18-30/h1-25H
InChIKeyLUDUSCRAZSCWDP-UHFFFAOYSA-N
XLogP7.39
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.59
LogP ≤ 57.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

4-(3-bromo-5-dibenzofuran-4-ylphenyl)dibenzofuran;methane
CID 142380453
4-[3-bromo-5-(3,5-diphenylphenyl)phenyl]dibenzofuran
CID 142380750
2-(3-bromo-5-dibenzofuran-4-ylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 142752625
4-(4-bromophenyl)dibenzofuran
CID 59022098
4-(3-dibenzofuran-4-yl-5-phenylphenyl)dibenzofuran
CID 122451689
9-(3-bromo-5-dibenzofuran-4-ylphenyl)carbazole
CID 122497163
N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-(4-triphenylsilylphenyl)aniline
CID 123964845
N-(4-dibenzofuran-4-ylphenyl)-N-phenyl-4-(4-triphenylsilylphenyl)aniline;methane
CID 159197890
4-bromo-6-phenyldibenzofuran;4-phenyldibenzofuran
CID 158212345
[3-[4-(2-dibenzofuran-4-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
CID 176837818
4-[3-(4-methylphenyl)-5-phenylphenyl]dibenzofuran
CID 70812680
5-[3-bromo-5-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]quinoline
CID 151172267

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-dibenzofuran-4-ylphenyl)-triphenylsilane?
The IUPAC name of (3-bromo-5-dibenzofuran-4-ylphenyl)-triphenylsilane (CID 86700950) is (3-bromo-5-dibenzofuran-4-ylphenyl)-triphenylsilane.
What is the SMILES notation for (3-bromo-5-dibenzofuran-4-ylphenyl)-triphenylsilane?
The canonical SMILES for (3-bromo-5-dibenzofuran-4-ylphenyl)-triphenylsilane is Brc1cc(-c2cccc3c2oc2ccccc23)cc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of (3-bromo-5-dibenzofuran-4-ylphenyl)-triphenylsilane?
The InChIKey is LUDUSCRAZSCWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H25BrOSi/c37-27-23-26(32-20-12-21-34-33-19-10-11-22-35(33)38-36(32)34)24-31(25-27)39(28-13-4-1-5-14-28,29-15-6-2-7-16-29)30-17-8-3-9-18-30/h1-25H.
What are the key properties of (3-bromo-5-dibenzofuran-4-ylphenyl)-triphenylsilane?
(3-bromo-5-dibenzofuran-4-ylphenyl)-triphenylsilane has a molecular weight of 581.59 g/mol, XLogP of 7.39, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-dibenzofuran-4-ylphenyl)-triphenylsilane is sourced from PubChem (CID 86700950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).