[4-(2-deuteriopropan-2-yl)-6-(3-phenylphenyl)-3-pyridinyl]-trimethylsilane

C23H27NSi — CID 156658003

IUPAC[4-(2-deuteriopropan-2-yl)-6-(3-phenylphenyl)-3-pyridinyl]-trimethylsilane
SMILES[2H]C(C)(C)c1cc(-c2cccc(-c3ccccc3)c2)ncc1[Si](C)(C)C
InChIInChI=1S/C23H27NSi/c1-17(2)21-15-22(24-16-23(21)25(3,4)5)20-13-9-12-19(14-20)18-10-7-6-8-11-18/h6-17H,1-5H3/i17D
InChIKeyWZHGKJROALFBED-OKWSDYJOSA-N
MW346.57 g/mol
LogP6.08
Rot. Bonds4

About [4-(2-deuteriopropan-2-yl)-6-(3-phenylphenyl)-3-pyridinyl]-trimethylsilane

[4-(2-deuteriopropan-2-yl)-6-(3-phenylphenyl)-3-pyridinyl]-trimethylsilane (PubChem CID 156658003) has the molecular formula C23H27NSi and a molecular weight of 346.57 g/mol. Its IUPAC name is [4-(2-deuteriopropan-2-yl)-6-(3-phenylphenyl)-3-pyridinyl]-trimethylsilane.

Molecular Properties

Compound Name[4-(2-deuteriopropan-2-yl)-6-(3-phenylphenyl)-3-pyridinyl]-trimethylsilane
PubChem CID156658003
Molecular FormulaC23H27NSi
Molecular Weight346.57 g/mol
Exact Mass346.20
IUPAC Name[4-(2-deuteriopropan-2-yl)-6-(3-phenylphenyl)-3-pyridinyl]-trimethylsilane
SMILES[2H]C(C)(C)c1cc(-c2cccc(-c3ccccc3)c2)ncc1[Si](C)(C)C
InChIInChI=1S/C23H27NSi/c1-17(2)21-15-22(24-16-23(21)25(3,4)5)20-13-9-12-19(14-20)18-10-7-6-8-11-18/h6-17H,1-5H3/i17D
InChIKeyWZHGKJROALFBED-OKWSDYJOSA-N
XLogP6.08
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.57
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

[4-(2-deuteriopropan-2-yl)-6-[4-(2-deuteriopropan-2-yl)-3-phenylphenyl]-3-pyridinyl]-trimethylsilane
CID 166574521
[4-(2-deuteriopropan-2-yl)-6-(4-methyl-3-phenylphenyl)-3-pyridinyl]-trimethylsilane
CID 166578513
trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane
CID 140720447
trimethyl-[4-methyl-6-(3-phenylphenyl)-3-pyridinyl]silane
CID 140710280
[4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)phenyl]-3-pyridinyl]-trimethylsilane
CID 155612207
trimethyl-[6-phenyl-4-(1-phenylethyl)-3-pyridinyl]silane
CID 155612623
trimethyl-[6-(3-phenylphenyl)-4-propyl-3-pyridinyl]silane
CID 140738883
[4-(2-deuteriopropan-2-yl)-6-(2-fluoro-3-methylphenyl)-3-pyridinyl]-trimethylsilane
CID 157326729
[6-(3-tert-butylphenyl)-4-(3-methylbutan-2-yl)-3-pyridinyl]-trimethylsilane
CID 169038549
trimethyl-[4-pentyl-6-(3-phenylphenyl)-3-pyridinyl]silane
CID 140739178
(4,6-diphenyl-3-pyridinyl)-trimethylsilane
CID 140710428
2-(3-phenylphenyl)-5-[6-(3-phenylphenyl)-3-pyridinyl]pyridine
CID 59629353

Frequently Asked Questions

What is the IUPAC name of [4-(2-deuteriopropan-2-yl)-6-(3-phenylphenyl)-3-pyridinyl]-trimethylsilane?
The IUPAC name of [4-(2-deuteriopropan-2-yl)-6-(3-phenylphenyl)-3-pyridinyl]-trimethylsilane (CID 156658003) is [4-(2-deuteriopropan-2-yl)-6-(3-phenylphenyl)-3-pyridinyl]-trimethylsilane.
What is the SMILES notation for [4-(2-deuteriopropan-2-yl)-6-(3-phenylphenyl)-3-pyridinyl]-trimethylsilane?
The canonical SMILES for [4-(2-deuteriopropan-2-yl)-6-(3-phenylphenyl)-3-pyridinyl]-trimethylsilane is [2H]C(C)(C)c1cc(-c2cccc(-c3ccccc3)c2)ncc1[Si](C)(C)C.
What is the InChIKey of [4-(2-deuteriopropan-2-yl)-6-(3-phenylphenyl)-3-pyridinyl]-trimethylsilane?
The InChIKey is WZHGKJROALFBED-OKWSDYJOSA-N. The full InChI is InChI=1S/C23H27NSi/c1-17(2)21-15-22(24-16-23(21)25(3,4)5)20-13-9-12-19(14-20)18-10-7-6-8-11-18/h6-17H,1-5H3/i17D.
What are the key properties of [4-(2-deuteriopropan-2-yl)-6-(3-phenylphenyl)-3-pyridinyl]-trimethylsilane?
[4-(2-deuteriopropan-2-yl)-6-(3-phenylphenyl)-3-pyridinyl]-trimethylsilane has a molecular weight of 346.57 g/mol, XLogP of 6.08, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-deuteriopropan-2-yl)-6-(3-phenylphenyl)-3-pyridinyl]-trimethylsilane is sourced from PubChem (CID 156658003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).