triphenyl-[2,4,6-trideuterio-3-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]silane

C31H26Si — CID 170660160

IUPACtriphenyl-[2,4,6-trideuterio-3-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]silane
SMILES[2H]c1c([2H])c([2H])c(-c2c([2H])c(C)c([2H])c([Si](c3ccccc3)(c3ccccc3)c3ccccc3)c2[2H])c([2H])c1[2H]
InChIInChI=1S/C31H26Si/c1-25-22-27(26-14-6-2-7-15-26)24-31(23-25)32(28-16-8-3-9-17-28,29-18-10-4-11-19-29)30-20-12-5-13-21-30/h2-24H,1H3/i2D,6D,7D,14D,15D,22D,23D,24D
InChIKeyJTLFRSMFUJMZTF-PLRIBTEZSA-N
MW434.68 g/mol
LogP5.04
Rot. Bonds5

About triphenyl-[2,4,6-trideuterio-3-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]silane

triphenyl-[2,4,6-trideuterio-3-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]silane (PubChem CID 170660160) has the molecular formula C31H26Si and a molecular weight of 434.68 g/mol. Its IUPAC name is triphenyl-[2,4,6-trideuterio-3-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]silane.

Molecular Properties

Compound Nametriphenyl-[2,4,6-trideuterio-3-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]silane
PubChem CID170660160
Molecular FormulaC31H26Si
Molecular Weight434.68 g/mol
Exact Mass434.23
IUPAC Nametriphenyl-[2,4,6-trideuterio-3-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]silane
SMILES[2H]c1c([2H])c([2H])c(-c2c([2H])c(C)c([2H])c([Si](c3ccccc3)(c3ccccc3)c3ccccc3)c2[2H])c([2H])c1[2H]
InChIInChI=1S/C31H26Si/c1-25-22-27(26-14-6-2-7-15-26)24-31(23-25)32(28-16-8-3-9-17-28,29-18-10-4-11-19-29)30-20-12-5-13-21-30/h2-24H,1H3/i2D,6D,7D,14D,15D,22D,23D,24D
InChIKeyJTLFRSMFUJMZTF-PLRIBTEZSA-N
XLogP5.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.68
LogP ≤ 55.04
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-(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
diphenyl-(2,3,4,6-tetradeuterio-5-methylphenyl)-(3-triphenylsilylphenyl)silane
CID 170660205
(3-bromo-2,4,5,6-tetradeuteriophenyl)-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-diphenylsilane
CID 164843260
CID 168800186
CID 168800186
[4-(4-methylphenyl)phenyl]-triphenylsilane
CID 123512514
phenyl-bis[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-[2,3,4,6-tetradeuterio-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]silane
CID 177070182
tris(2,3,4,5,6-pentadeuteriophenyl)-(2,3,4,6-tetradeuterio-5-methylphenyl)silane
CID 165093381
(4-bromophenyl)-(2,3,4,5,6-pentadeuteriophenyl)-diphenylsilane
CID 162701572
[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-diphenyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]silane
CID 164756518
(2,3,4,5,6-pentadeuteriophenyl)-diphenyl-[2,3,4,6-tetradeuterio-5-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]silane
CID 164843270
[3-[4-carbazol-9-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-2,4,5,6-tetradeuteriophenyl]-triphenylsilane
CID 164843236
[3-[4-carbazol-9-yl-6-(3,6-ditert-butylcarbazol-9-yl)-1,3,5-triazin-2-yl]-2,4,6-trideuterio-5-[[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-diphenylsilyl]phenyl]-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-diphenylsilane
CID 169031797

Frequently Asked Questions

What is the IUPAC name of triphenyl-[2,4,6-trideuterio-3-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]silane?
The IUPAC name of triphenyl-[2,4,6-trideuterio-3-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]silane (CID 170660160) is triphenyl-[2,4,6-trideuterio-3-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]silane.
What is the SMILES notation for triphenyl-[2,4,6-trideuterio-3-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]silane?
The canonical SMILES for triphenyl-[2,4,6-trideuterio-3-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]silane is [2H]c1c([2H])c([2H])c(-c2c([2H])c(C)c([2H])c([Si](c3ccccc3)(c3ccccc3)c3ccccc3)c2[2H])c([2H])c1[2H].
What is the InChIKey of triphenyl-[2,4,6-trideuterio-3-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]silane?
The InChIKey is JTLFRSMFUJMZTF-PLRIBTEZSA-N. The full InChI is InChI=1S/C31H26Si/c1-25-22-27(26-14-6-2-7-15-26)24-31(23-25)32(28-16-8-3-9-17-28,29-18-10-4-11-19-29)30-20-12-5-13-21-30/h2-24H,1H3/i2D,6D,7D,14D,15D,22D,23D,24D.
What are the key properties of triphenyl-[2,4,6-trideuterio-3-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]silane?
triphenyl-[2,4,6-trideuterio-3-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]silane has a molecular weight of 434.68 g/mol, XLogP of 5.04, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl-[2,4,6-trideuterio-3-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]silane is sourced from PubChem (CID 170660160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).