(2,3,4,5,6-pentadeuteriophenyl)-bis[(2,3,4,5,6-pentadeuteriophenyl)methyl]-[(2,3,5,6-tetradeuterio-4-methylphenyl)methyl]silane

C28H28Si — CID 169052978

IUPAC(2,3,4,5,6-pentadeuteriophenyl)-bis[(2,3,4,5,6-pentadeuteriophenyl)methyl]-[(2,3,5,6-tetradeuterio-4-methylphenyl)methyl]silane
SMILES[2H]c1c([2H])c([2H])c(C[Si](Cc2c([2H])c([2H])c([2H])c([2H])c2[2H])(Cc2c([2H])c([2H])c(C)c([2H])c2[2H])c2c([2H])c([2H])c([2H])c([2H])c2[2H])c([2H])c1[2H]
InChIInChI=1S/C28H28Si/c1-24-17-19-27(20-18-24)23-29(28-15-9-4-10-16-28,21-25-11-5-2-6-12-25)22-26-13-7-3-8-14-26/h2-20H,21-23H2,1H3/i2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D
InChIKeyIKNKWZBETJZAGU-ZNWKTGLTSA-N
MW411.73 g/mol
LogP6.00
Rot. Bonds7

About (2,3,4,5,6-pentadeuteriophenyl)-bis[(2,3,4,5,6-pentadeuteriophenyl)methyl]-[(2,3,5,6-tetradeuterio-4-methylphenyl)methyl]silane

(2,3,4,5,6-pentadeuteriophenyl)-bis[(2,3,4,5,6-pentadeuteriophenyl)methyl]-[(2,3,5,6-tetradeuterio-4-methylphenyl)methyl]silane (PubChem CID 169052978) has the molecular formula C28H28Si and a molecular weight of 411.73 g/mol. Its IUPAC name is (2,3,4,5,6-pentadeuteriophenyl)-bis[(2,3,4,5,6-pentadeuteriophenyl)methyl]-[(2,3,5,6-tetradeuterio-4-methylphenyl)methyl]silane.

Molecular Properties

Compound Name(2,3,4,5,6-pentadeuteriophenyl)-bis[(2,3,4,5,6-pentadeuteriophenyl)methyl]-[(2,3,5,6-tetradeuterio-4-methylphenyl)methyl]silane
PubChem CID169052978
Molecular FormulaC28H28Si
Molecular Weight411.73 g/mol
Exact Mass411.32
IUPAC Name(2,3,4,5,6-pentadeuteriophenyl)-bis[(2,3,4,5,6-pentadeuteriophenyl)methyl]-[(2,3,5,6-tetradeuterio-4-methylphenyl)methyl]silane
SMILES[2H]c1c([2H])c([2H])c(C[Si](Cc2c([2H])c([2H])c([2H])c([2H])c2[2H])(Cc2c([2H])c([2H])c(C)c([2H])c2[2H])c2c([2H])c([2H])c([2H])c([2H])c2[2H])c([2H])c1[2H]
InChIInChI=1S/C28H28Si/c1-24-17-19-27(20-18-24)23-29(28-15-9-4-10-16-28,21-25-11-5-2-6-12-25)22-26-13-7-3-8-14-26/h2-20H,21-23H2,1H3/i2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D
InChIKeyIKNKWZBETJZAGU-ZNWKTGLTSA-N
XLogP6.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.73
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', '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
[dideuterio-(2,3,4,5,6-pentadeuteriophenyl)methyl]-dimethyl-octylazanium
CID 171382401
2-methyl-1-(2,3,4,5,6-pentadeuteriophenyl)propan-2-amine;hydrochloride
CID 71751592
decyl-[dideuterio-(2,3,4,5,6-pentadeuteriophenyl)methyl]-dimethylazanium chloride
CID 171042964
1,1,2-trideuterio-2-(2,3,4,5,6-pentadeuteriophenyl)ethanol
CID 177430855
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)-[2,3,4,6-tetradeuterio-5-[3,5-dideuterio-2,6-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-4-pyridinyl]phenyl]-(2,3,5,6-tetradeuterio-4-methylphenyl)silane
CID 165035122
dimethyl-octyl-[(2,3,4,5,6-pentadeuteriophenyl)methyl]azanium
CID 167531365
1-[(4-tert-butylphenyl)methyl]-2,3,4,5,6-pentadeuteriobenzene
CID 132540823
1,2,3,4,5,8-hexadeuterio-6-(2,3,5,6-tetradeuterio-4-methylphenyl)naphthalene
CID 176595393
1,2,4,5-tetradeuterio-3,6-bis(1,1-dideuterioethyl)benzene
CID 59080146
1,2,3,4,5-pentadeuterio-6-[3-methyl-5-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]benzene
CID 158853164

Frequently Asked Questions

What is the IUPAC name of (2,3,4,5,6-pentadeuteriophenyl)-bis[(2,3,4,5,6-pentadeuteriophenyl)methyl]-[(2,3,5,6-tetradeuterio-4-methylphenyl)methyl]silane?
The IUPAC name of (2,3,4,5,6-pentadeuteriophenyl)-bis[(2,3,4,5,6-pentadeuteriophenyl)methyl]-[(2,3,5,6-tetradeuterio-4-methylphenyl)methyl]silane (CID 169052978) is (2,3,4,5,6-pentadeuteriophenyl)-bis[(2,3,4,5,6-pentadeuteriophenyl)methyl]-[(2,3,5,6-tetradeuterio-4-methylphenyl)methyl]silane.
What is the SMILES notation for (2,3,4,5,6-pentadeuteriophenyl)-bis[(2,3,4,5,6-pentadeuteriophenyl)methyl]-[(2,3,5,6-tetradeuterio-4-methylphenyl)methyl]silane?
The canonical SMILES for (2,3,4,5,6-pentadeuteriophenyl)-bis[(2,3,4,5,6-pentadeuteriophenyl)methyl]-[(2,3,5,6-tetradeuterio-4-methylphenyl)methyl]silane is [2H]c1c([2H])c([2H])c(C[Si](Cc2c([2H])c([2H])c([2H])c([2H])c2[2H])(Cc2c([2H])c([2H])c(C)c([2H])c2[2H])c2c([2H])c([2H])c([2H])c([2H])c2[2H])c([2H])c1[2H].
What is the InChIKey of (2,3,4,5,6-pentadeuteriophenyl)-bis[(2,3,4,5,6-pentadeuteriophenyl)methyl]-[(2,3,5,6-tetradeuterio-4-methylphenyl)methyl]silane?
The InChIKey is IKNKWZBETJZAGU-ZNWKTGLTSA-N. The full InChI is InChI=1S/C28H28Si/c1-24-17-19-27(20-18-24)23-29(28-15-9-4-10-16-28,21-25-11-5-2-6-12-25)22-26-13-7-3-8-14-26/h2-20H,21-23H2,1H3/i2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D.
What are the key properties of (2,3,4,5,6-pentadeuteriophenyl)-bis[(2,3,4,5,6-pentadeuteriophenyl)methyl]-[(2,3,5,6-tetradeuterio-4-methylphenyl)methyl]silane?
(2,3,4,5,6-pentadeuteriophenyl)-bis[(2,3,4,5,6-pentadeuteriophenyl)methyl]-[(2,3,5,6-tetradeuterio-4-methylphenyl)methyl]silane has a molecular weight of 411.73 g/mol, XLogP of 6.00, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,4,5,6-pentadeuteriophenyl)-bis[(2,3,4,5,6-pentadeuteriophenyl)methyl]-[(2,3,5,6-tetradeuterio-4-methylphenyl)methyl]silane is sourced from PubChem (CID 169052978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).