(4-bromo-8-triphenylsilyldibenzofuran-2-yl)-triphenylsilane

C48H35BrOSi2 — CID 58049810

IUPAC(4-bromo-8-triphenylsilyldibenzofuran-2-yl)-triphenylsilane
SMILESBrc1cc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc2c1oc1ccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cc12
InChIInChI=1S/C48H35BrOSi2/c49-46-35-43(52(39-25-13-4-14-26-39,40-27-15-5-16-28-40)41-29-17-6-18-30-41)34-45-44-33-42(31-32-47(44)50-48(45)46)51(36-19-7-1-8-20-36,37-21-9-2-10-22-37)38-23-11-3-12-24-38/h1-35H
InChIKeyOLPWJGZRNRQXAL-UHFFFAOYSA-N
MW763.88 g/mol
LogP7.10
Rot. Bonds8

About (4-bromo-8-triphenylsilyldibenzofuran-2-yl)-triphenylsilane

(4-bromo-8-triphenylsilyldibenzofuran-2-yl)-triphenylsilane (PubChem CID 58049810) has the molecular formula C48H35BrOSi2 and a molecular weight of 763.88 g/mol. Its IUPAC name is (4-bromo-8-triphenylsilyldibenzofuran-2-yl)-triphenylsilane.

Molecular Properties

Compound Name(4-bromo-8-triphenylsilyldibenzofuran-2-yl)-triphenylsilane
PubChem CID58049810
Molecular FormulaC48H35BrOSi2
Molecular Weight763.88 g/mol
Exact Mass762.14
IUPAC Name(4-bromo-8-triphenylsilyldibenzofuran-2-yl)-triphenylsilane
SMILESBrc1cc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc2c1oc1ccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cc12
InChIInChI=1S/C48H35BrOSi2/c49-46-35-43(52(39-25-13-4-14-26-39,40-27-15-5-16-28-40)41-29-17-6-18-30-41)34-45-44-33-42(31-32-47(44)50-48(45)46)51(36-19-7-1-8-20-36,37-21-9-2-10-22-37)38-23-11-3-12-24-38/h1-35H
InChIKeyOLPWJGZRNRQXAL-UHFFFAOYSA-N
XLogP7.10
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500763.88
LogP ≤ 57.10
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

bis(furo[2,3-b][1]benzofuran-7-yl)-diphenylsilane
CID 153462929
8-triphenylsilyldibenzofuran-2-carboximidamide;hydrochloride
CID 144895282
(3-bromo-5-dibenzofuran-4-ylphenyl)-triphenylsilane
CID 86700950
bis(18-carbazol-9-yl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl)-diphenylsilane
CID 59147251
dibenzofuran-2-yl-diphenyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]silane
CID 177089483
4-bromodibenzofuran-2-amine
CID 122462972
(3-bromo-5-triphenylsilylphenyl)-triphenylsilane
CID 87693758
[8-(3,6-ditert-butylcarbazol-9-yl)dibenzofuran-2-yl]-triphenylsilane
CID 58049752
[6-[4-(10H-benzo[b][1]benzoborinin-5-yl)-3,5-diphenylphenyl]dibenzofuran-2-yl]-triphenylsilane
CID 167695840
(3-bromophenyl)-triphenylsilane
CID 158328099
trimethyl-(19-trimethylsilyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaen-7-yl)silane
CID 70938426
[7-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran-2-yl]-triphenylsilane
CID 156626209

Frequently Asked Questions

What is the IUPAC name of (4-bromo-8-triphenylsilyldibenzofuran-2-yl)-triphenylsilane?
The IUPAC name of (4-bromo-8-triphenylsilyldibenzofuran-2-yl)-triphenylsilane (CID 58049810) is (4-bromo-8-triphenylsilyldibenzofuran-2-yl)-triphenylsilane.
What is the SMILES notation for (4-bromo-8-triphenylsilyldibenzofuran-2-yl)-triphenylsilane?
The canonical SMILES for (4-bromo-8-triphenylsilyldibenzofuran-2-yl)-triphenylsilane is Brc1cc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc2c1oc1ccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cc12.
What is the InChIKey of (4-bromo-8-triphenylsilyldibenzofuran-2-yl)-triphenylsilane?
The InChIKey is OLPWJGZRNRQXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H35BrOSi2/c49-46-35-43(52(39-25-13-4-14-26-39,40-27-15-5-16-28-40)41-29-17-6-18-30-41)34-45-44-33-42(31-32-47(44)50-48(45)46)51(36-19-7-1-8-20-36,37-21-9-2-10-22-37)38-23-11-3-12-24-38/h1-35H.
What are the key properties of (4-bromo-8-triphenylsilyldibenzofuran-2-yl)-triphenylsilane?
(4-bromo-8-triphenylsilyldibenzofuran-2-yl)-triphenylsilane has a molecular weight of 763.88 g/mol, XLogP of 7.10, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-8-triphenylsilyldibenzofuran-2-yl)-triphenylsilane is sourced from PubChem (CID 58049810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).