trimethyl-[8-(2-methylpropyl)-4-[5-(trideuteriomethyl)-2-pyridinyl]dibenzofuran-1-yl]silane

C25H29NOSi — CID 164796961

IUPACtrimethyl-[8-(2-methylpropyl)-4-[5-(trideuteriomethyl)-2-pyridinyl]dibenzofuran-1-yl]silane
SMILES[2H]C([2H])([2H])c1ccc(-c2ccc([Si](C)(C)C)c3c2oc2ccc(CC(C)C)cc23)nc1
InChIInChI=1S/C25H29NOSi/c1-16(2)13-18-8-11-22-20(14-18)24-23(28(4,5)6)12-9-19(25(24)27-22)21-10-7-17(3)15-26-21/h7-12,14-16H,13H2,1-6H3/i3D3
InChIKeyKZFZRKOVQIDCLA-HPRDVNIFSA-N
MW390.62 g/mol
LogP6.70
Rot. Bonds5

About trimethyl-[8-(2-methylpropyl)-4-[5-(trideuteriomethyl)-2-pyridinyl]dibenzofuran-1-yl]silane

trimethyl-[8-(2-methylpropyl)-4-[5-(trideuteriomethyl)-2-pyridinyl]dibenzofuran-1-yl]silane (PubChem CID 164796961) has the molecular formula C25H29NOSi and a molecular weight of 390.62 g/mol. Its IUPAC name is trimethyl-[8-(2-methylpropyl)-4-[5-(trideuteriomethyl)-2-pyridinyl]dibenzofuran-1-yl]silane.

Molecular Properties

Compound Nametrimethyl-[8-(2-methylpropyl)-4-[5-(trideuteriomethyl)-2-pyridinyl]dibenzofuran-1-yl]silane
PubChem CID164796961
Molecular FormulaC25H29NOSi
Molecular Weight390.62 g/mol
Exact Mass390.22
IUPAC Nametrimethyl-[8-(2-methylpropyl)-4-[5-(trideuteriomethyl)-2-pyridinyl]dibenzofuran-1-yl]silane
SMILES[2H]C([2H])([2H])c1ccc(-c2ccc([Si](C)(C)C)c3c2oc2ccc(CC(C)C)cc23)nc1
InChIInChI=1S/C25H29NOSi/c1-16(2)13-18-8-11-22-20(14-18)24-23(28(4,5)6)12-9-19(25(24)27-22)21-10-7-17(3)15-26-21/h7-12,14-16H,13H2,1-6H3/i3D3
InChIKeyKZFZRKOVQIDCLA-HPRDVNIFSA-N
XLogP6.70
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.62
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[8-(2-methylpropyl)-4-[5-(trideuteriomethyl)-2-pyridinyl]dibenzofuran-1-yl]silane?
The IUPAC name of trimethyl-[8-(2-methylpropyl)-4-[5-(trideuteriomethyl)-2-pyridinyl]dibenzofuran-1-yl]silane (CID 164796961) is trimethyl-[8-(2-methylpropyl)-4-[5-(trideuteriomethyl)-2-pyridinyl]dibenzofuran-1-yl]silane.
What is the SMILES notation for trimethyl-[8-(2-methylpropyl)-4-[5-(trideuteriomethyl)-2-pyridinyl]dibenzofuran-1-yl]silane?
The canonical SMILES for trimethyl-[8-(2-methylpropyl)-4-[5-(trideuteriomethyl)-2-pyridinyl]dibenzofuran-1-yl]silane is [2H]C([2H])([2H])c1ccc(-c2ccc([Si](C)(C)C)c3c2oc2ccc(CC(C)C)cc23)nc1.
What is the InChIKey of trimethyl-[8-(2-methylpropyl)-4-[5-(trideuteriomethyl)-2-pyridinyl]dibenzofuran-1-yl]silane?
The InChIKey is KZFZRKOVQIDCLA-HPRDVNIFSA-N. The full InChI is InChI=1S/C25H29NOSi/c1-16(2)13-18-8-11-22-20(14-18)24-23(28(4,5)6)12-9-19(25(24)27-22)21-10-7-17(3)15-26-21/h7-12,14-16H,13H2,1-6H3/i3D3.
What are the key properties of trimethyl-[8-(2-methylpropyl)-4-[5-(trideuteriomethyl)-2-pyridinyl]dibenzofuran-1-yl]silane?
trimethyl-[8-(2-methylpropyl)-4-[5-(trideuteriomethyl)-2-pyridinyl]dibenzofuran-1-yl]silane has a molecular weight of 390.62 g/mol, XLogP of 6.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[8-(2-methylpropyl)-4-[5-(trideuteriomethyl)-2-pyridinyl]dibenzofuran-1-yl]silane is sourced from PubChem (CID 164796961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).