(4-bromophenyl)-(2,3,4,5,6-pentadeuteriophenyl)-diphenylsilane

C24H19BrSi — CID 162701572

IUPAC(4-bromophenyl)-(2,3,4,5,6-pentadeuteriophenyl)-diphenylsilane
SMILES[2H]c1c([2H])c([2H])c([Si](c2ccccc2)(c2ccccc2)c2ccc(Br)cc2)c([2H])c1[2H]
InChIInChI=1S/C24H19BrSi/c25-20-16-18-24(19-17-20)26(21-10-4-1-5-11-21,22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-19H/i1D,4D,5D,10D,11D
InChIKeyUDZSLJULKCKKPX-ZWYOJXJXSA-N
MW420.44 g/mol
LogP3.83
Rot. Bonds4

About (4-bromophenyl)-(2,3,4,5,6-pentadeuteriophenyl)-diphenylsilane

(4-bromophenyl)-(2,3,4,5,6-pentadeuteriophenyl)-diphenylsilane (PubChem CID 162701572) has the molecular formula C24H19BrSi and a molecular weight of 420.44 g/mol. Its IUPAC name is (4-bromophenyl)-(2,3,4,5,6-pentadeuteriophenyl)-diphenylsilane.

Molecular Properties

Compound Name(4-bromophenyl)-(2,3,4,5,6-pentadeuteriophenyl)-diphenylsilane
PubChem CID162701572
Molecular FormulaC24H19BrSi
Molecular Weight420.44 g/mol
Exact Mass419.08
IUPAC Name(4-bromophenyl)-(2,3,4,5,6-pentadeuteriophenyl)-diphenylsilane
SMILES[2H]c1c([2H])c([2H])c([Si](c2ccccc2)(c2ccccc2)c2ccc(Br)cc2)c([2H])c1[2H]
InChIInChI=1S/C24H19BrSi/c25-20-16-18-24(19-17-20)26(21-10-4-1-5-11-21,22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-19H/i1D,4D,5D,10D,11D
InChIKeyUDZSLJULKCKKPX-ZWYOJXJXSA-N
XLogP3.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.44
LogP ≤ 53.83
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-bromo-2,4,5,6-tetradeuteriophenyl)-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-diphenylsilane
CID 164843260
(3-bromo-5-triphenylsilylphenyl)-triphenylsilane
CID 87693758
(2,3,4,5,6-pentadeuteriophenyl)-diphenyl-[2,3,4,6-tetradeuterio-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]silane
CID 171467542
(2,3,4,5,6-pentadeuteriophenyl)-[9-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]carbazol-3-yl]-diphenylsilane
CID 164756684
(3-bromophenyl)-triphenylsilane
CID 158328099
triphenyl-[2,4,6-trideuterio-3-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]silane
CID 170660160
bis(2,3,4,5,6-pentadeuteriophenyl)-phenyl-[4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]silane
CID 172534683
[3-[4,6-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-bis(2,3,4,5,6-pentadeuteriophenyl)-phenylsilane
CID 164843272
(3-bromophenyl)-(1,3,4,6,7,8,9-heptadeuteriodibenzofuran-2-yl)-diphenylsilane
CID 177083272
(3-bromophenyl)-tris(4-phenylphenyl)silane
CID 169002873
1,3,4,5,6,7,8-heptadeuterio-N-(4-triphenylsilylphenyl)naphthalen-2-amine
CID 140891943
diphenyl-(2,3,4,6-tetradeuterio-5-methylphenyl)-(3-triphenylsilylphenyl)silane
CID 170660205

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-(2,3,4,5,6-pentadeuteriophenyl)-diphenylsilane?
The IUPAC name of (4-bromophenyl)-(2,3,4,5,6-pentadeuteriophenyl)-diphenylsilane (CID 162701572) is (4-bromophenyl)-(2,3,4,5,6-pentadeuteriophenyl)-diphenylsilane.
What is the SMILES notation for (4-bromophenyl)-(2,3,4,5,6-pentadeuteriophenyl)-diphenylsilane?
The canonical SMILES for (4-bromophenyl)-(2,3,4,5,6-pentadeuteriophenyl)-diphenylsilane is [2H]c1c([2H])c([2H])c([Si](c2ccccc2)(c2ccccc2)c2ccc(Br)cc2)c([2H])c1[2H].
What is the InChIKey of (4-bromophenyl)-(2,3,4,5,6-pentadeuteriophenyl)-diphenylsilane?
The InChIKey is UDZSLJULKCKKPX-ZWYOJXJXSA-N. The full InChI is InChI=1S/C24H19BrSi/c25-20-16-18-24(19-17-20)26(21-10-4-1-5-11-21,22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-19H/i1D,4D,5D,10D,11D.
What are the key properties of (4-bromophenyl)-(2,3,4,5,6-pentadeuteriophenyl)-diphenylsilane?
(4-bromophenyl)-(2,3,4,5,6-pentadeuteriophenyl)-diphenylsilane has a molecular weight of 420.44 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-(2,3,4,5,6-pentadeuteriophenyl)-diphenylsilane is sourced from PubChem (CID 162701572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).