[4-(3,3-dimethylbutan-2-yl)-6-(4-methylphenyl)-3-pyridinyl]-trimethylsilane

C21H31NSi — CID 140739141

IUPAC[4-(3,3-dimethylbutan-2-yl)-6-(4-methylphenyl)-3-pyridinyl]-trimethylsilane
SMILESCc1ccc(-c2cc(C(C)C(C)(C)C)c([Si](C)(C)C)cn2)cc1
InChIInChI=1S/C21H31NSi/c1-15-9-11-17(12-10-15)19-13-18(16(2)21(3,4)5)20(14-22-19)23(6,7)8/h9-14,16H,1-8H3
InChIKeyPOFZGMZZHYYBFK-UHFFFAOYSA-N
MW325.57 g/mol
LogP5.75
Rot. Bonds3

About [4-(3,3-dimethylbutan-2-yl)-6-(4-methylphenyl)-3-pyridinyl]-trimethylsilane

[4-(3,3-dimethylbutan-2-yl)-6-(4-methylphenyl)-3-pyridinyl]-trimethylsilane (PubChem CID 140739141) has the molecular formula C21H31NSi and a molecular weight of 325.57 g/mol. Its IUPAC name is [4-(3,3-dimethylbutan-2-yl)-6-(4-methylphenyl)-3-pyridinyl]-trimethylsilane.

Molecular Properties

Compound Name[4-(3,3-dimethylbutan-2-yl)-6-(4-methylphenyl)-3-pyridinyl]-trimethylsilane
PubChem CID140739141
Molecular FormulaC21H31NSi
Molecular Weight325.57 g/mol
Exact Mass325.22
IUPAC Name[4-(3,3-dimethylbutan-2-yl)-6-(4-methylphenyl)-3-pyridinyl]-trimethylsilane
SMILESCc1ccc(-c2cc(C(C)C(C)(C)C)c([Si](C)(C)C)cn2)cc1
InChIInChI=1S/C21H31NSi/c1-15-9-11-17(12-10-15)19-13-18(16(2)21(3,4)5)20(14-22-19)23(6,7)8/h9-14,16H,1-8H3
InChIKeyPOFZGMZZHYYBFK-UHFFFAOYSA-N
XLogP5.75
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.57
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [4-(3,3-dimethylbutan-2-yl)-6-(4-methylphenyl)-3-pyridinyl]-trimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)phenyl]-3-pyridinyl]-trimethylsilane
CID 155612207
trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane
CID 140720447
4-[4-(3-methylbutan-2-yl)-5-trimethylsilyl-2-pyridinyl]benzonitrile
CID 169039431
4-(4-propan-2-yl-5-trimethylsilyl-2-pyridinyl)benzonitrile
CID 140739401
[6-(3-tert-butylphenyl)-4-(3-methylbutan-2-yl)-3-pyridinyl]-trimethylsilane
CID 169038549
trimethyl-[4-methyl-6-[4-(trideuteriomethyl)phenyl]-3-pyridinyl]silane
CID 157244482
trimethyl-[6-phenyl-4-(1-phenylethyl)-3-pyridinyl]silane
CID 155612623
[6-(2,4-dimethylphenyl)-4-(3-methylbutan-2-yl)-3-pyridinyl]-trimethylsilane
CID 169038830
[4-(2-deuteriopropan-2-yl)-6-(4-methyl-3-phenylphenyl)-3-pyridinyl]-trimethylsilane
CID 166578513
[6-[3-bis(2,4,6-trimethylphenyl)boranylphenyl]-4-(3-methylbutan-2-yl)-3-pyridinyl]-trimethylsilane
CID 140738929
[4-(2-deuteriopropan-2-yl)-6-[4-(2-deuteriopropan-2-yl)-3-phenylphenyl]-3-pyridinyl]-trimethylsilane
CID 166574521
[4-(2-deuteriopropan-2-yl)-6-(3-phenylphenyl)-3-pyridinyl]-trimethylsilane
CID 156658003

Frequently Asked Questions

What is the IUPAC name of [4-(3,3-dimethylbutan-2-yl)-6-(4-methylphenyl)-3-pyridinyl]-trimethylsilane?
The IUPAC name of [4-(3,3-dimethylbutan-2-yl)-6-(4-methylphenyl)-3-pyridinyl]-trimethylsilane (CID 140739141) is [4-(3,3-dimethylbutan-2-yl)-6-(4-methylphenyl)-3-pyridinyl]-trimethylsilane.
What is the SMILES notation for [4-(3,3-dimethylbutan-2-yl)-6-(4-methylphenyl)-3-pyridinyl]-trimethylsilane?
The canonical SMILES for [4-(3,3-dimethylbutan-2-yl)-6-(4-methylphenyl)-3-pyridinyl]-trimethylsilane is Cc1ccc(-c2cc(C(C)C(C)(C)C)c([Si](C)(C)C)cn2)cc1.
What is the InChIKey of [4-(3,3-dimethylbutan-2-yl)-6-(4-methylphenyl)-3-pyridinyl]-trimethylsilane?
The InChIKey is POFZGMZZHYYBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31NSi/c1-15-9-11-17(12-10-15)19-13-18(16(2)21(3,4)5)20(14-22-19)23(6,7)8/h9-14,16H,1-8H3.
What are the key properties of [4-(3,3-dimethylbutan-2-yl)-6-(4-methylphenyl)-3-pyridinyl]-trimethylsilane?
[4-(3,3-dimethylbutan-2-yl)-6-(4-methylphenyl)-3-pyridinyl]-trimethylsilane has a molecular weight of 325.57 g/mol, XLogP of 5.75, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,3-dimethylbutan-2-yl)-6-(4-methylphenyl)-3-pyridinyl]-trimethylsilane is sourced from PubChem (CID 140739141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).