diphenyl-(2,3,4,6-tetradeuterio-5-methylphenyl)-(3-triphenylsilylphenyl)silane

C43H36Si2 — CID 170660205

IUPACdiphenyl-(2,3,4,6-tetradeuterio-5-methylphenyl)-(3-triphenylsilylphenyl)silane
SMILES[2H]c1c([2H])c(C)c([2H])c([Si](c2ccccc2)(c2ccccc2)c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)c2)c1[2H]
InChIInChI=1S/C43H36Si2/c1-35-19-17-30-41(33-35)45(39-26-13-5-14-27-39,40-28-15-6-16-29-40)43-32-18-31-42(34-43)44(36-20-7-2-8-21-36,37-22-9-3-10-23-37)38-24-11-4-12-25-38/h2-34H,1H3/i17D,19D,30D,33D
InChIKeyIPHLHXOWPCXBKJ-JGRLLQNGSA-N
MW612.96 g/mol
LogP4.75
Rot. Bonds8

About diphenyl-(2,3,4,6-tetradeuterio-5-methylphenyl)-(3-triphenylsilylphenyl)silane

diphenyl-(2,3,4,6-tetradeuterio-5-methylphenyl)-(3-triphenylsilylphenyl)silane (PubChem CID 170660205) has the molecular formula C43H36Si2 and a molecular weight of 612.96 g/mol. Its IUPAC name is diphenyl-(2,3,4,6-tetradeuterio-5-methylphenyl)-(3-triphenylsilylphenyl)silane.

Molecular Properties

Compound Namediphenyl-(2,3,4,6-tetradeuterio-5-methylphenyl)-(3-triphenylsilylphenyl)silane
PubChem CID170660205
Molecular FormulaC43H36Si2
Molecular Weight612.96 g/mol
Exact Mass612.26
IUPAC Namediphenyl-(2,3,4,6-tetradeuterio-5-methylphenyl)-(3-triphenylsilylphenyl)silane
SMILES[2H]c1c([2H])c(C)c([2H])c([Si](c2ccccc2)(c2ccccc2)c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)c2)c1[2H]
InChIInChI=1S/C43H36Si2/c1-35-19-17-30-41(33-35)45(39-26-13-5-14-27-39,40-28-15-6-16-29-40)43-32-18-31-42(34-43)44(36-20-7-2-8-21-36,37-22-9-3-10-23-37)38-24-11-4-12-25-38/h2-34H,1H3/i17D,19D,30D,33D
InChIKeyIPHLHXOWPCXBKJ-JGRLLQNGSA-N
XLogP4.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500612.96
LogP ≤ 54.75
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

tris(2,3,4,5,6-pentadeuteriophenyl)-(2,3,4,6-tetradeuterio-5-methylphenyl)silane
CID 165093381
(3-bromo-2,4,5,6-tetradeuteriophenyl)-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-diphenylsilane
CID 164843260
[3-[4,6-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]-2,4,5,6-tetradeuteriophenyl]-(3-methylphenyl)-phenyl-[2,3,4,6-tetradeuterio-5-(trideuteriomethyl)phenyl]silane
CID 176751578
triphenyl-[2,4,6-trideuterio-3-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]silane
CID 170660160
[3-[diphenyl-(3-phenylphenyl)silyl]-5-methylphenyl]-diphenyl-(3-phenylphenyl)silane
CID 170660172
[1,2,4,5,6,7,8-heptadeuterio-9-[3-[3-(1,2,3,4,5,7,8-heptadeuterio-6-methylcarbazol-9-yl)phenyl]phenyl]carbazol-3-yl]-triphenylsilane
CID 88565814
(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
[4-(4-methylphenyl)phenyl]-triphenylsilane
CID 123512514
(4-bromophenyl)-(2,3,4,5,6-pentadeuteriophenyl)-diphenylsilane
CID 162701572
(3-bromophenyl)-(1,3,4,6,7,8,9-heptadeuteriodibenzofuran-2-yl)-diphenylsilane
CID 177083272
[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-diphenyl-[2,4,6-trideuterio-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-diphenylsilyl]phenyl]silane
CID 169031735
[3-bromo-2,4,6-trideuterio-5-[diphenyl-(3-phenylphenyl)silyl]phenyl]-diphenyl-(3-phenylphenyl)silane
CID 168800170

Frequently Asked Questions

What is the IUPAC name of diphenyl-(2,3,4,6-tetradeuterio-5-methylphenyl)-(3-triphenylsilylphenyl)silane?
The IUPAC name of diphenyl-(2,3,4,6-tetradeuterio-5-methylphenyl)-(3-triphenylsilylphenyl)silane (CID 170660205) is diphenyl-(2,3,4,6-tetradeuterio-5-methylphenyl)-(3-triphenylsilylphenyl)silane.
What is the SMILES notation for diphenyl-(2,3,4,6-tetradeuterio-5-methylphenyl)-(3-triphenylsilylphenyl)silane?
The canonical SMILES for diphenyl-(2,3,4,6-tetradeuterio-5-methylphenyl)-(3-triphenylsilylphenyl)silane is [2H]c1c([2H])c(C)c([2H])c([Si](c2ccccc2)(c2ccccc2)c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)c2)c1[2H].
What is the InChIKey of diphenyl-(2,3,4,6-tetradeuterio-5-methylphenyl)-(3-triphenylsilylphenyl)silane?
The InChIKey is IPHLHXOWPCXBKJ-JGRLLQNGSA-N. The full InChI is InChI=1S/C43H36Si2/c1-35-19-17-30-41(33-35)45(39-26-13-5-14-27-39,40-28-15-6-16-29-40)43-32-18-31-42(34-43)44(36-20-7-2-8-21-36,37-22-9-3-10-23-37)38-24-11-4-12-25-38/h2-34H,1H3/i17D,19D,30D,33D.
What are the key properties of diphenyl-(2,3,4,6-tetradeuterio-5-methylphenyl)-(3-triphenylsilylphenyl)silane?
diphenyl-(2,3,4,6-tetradeuterio-5-methylphenyl)-(3-triphenylsilylphenyl)silane has a molecular weight of 612.96 g/mol, XLogP of 4.75, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-(2,3,4,6-tetradeuterio-5-methylphenyl)-(3-triphenylsilylphenyl)silane is sourced from PubChem (CID 170660205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).