deuterio-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]-bis(trideuteriomethyl)silane

C17H23NSi — CID 159672658

IUPACdeuterio-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]-bis(trideuteriomethyl)silane
SMILES[2H]C([2H])([2H])[Si]([2H])(c1cnc(-c2ccccc2)cc1CC(C)C)C([2H])([2H])[2H]
InChIInChI=1S/C17H23NSi/c1-13(2)10-15-11-16(14-8-6-5-7-9-14)18-12-17(15)19(3)4/h5-9,11-13,19H,10H2,1-4H3/i3D3,4D3,19D
InChIKeyYRLOTDJMEUQAJU-MAQMNSDVSA-N
MW276.51 g/mol
LogP3.64
Rot. Bonds6

About deuterio-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]-bis(trideuteriomethyl)silane

deuterio-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]-bis(trideuteriomethyl)silane (PubChem CID 159672658) has the molecular formula C17H23NSi and a molecular weight of 276.51 g/mol. Its IUPAC name is deuterio-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]-bis(trideuteriomethyl)silane.

Molecular Properties

Compound Namedeuterio-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]-bis(trideuteriomethyl)silane
PubChem CID159672658
Molecular FormulaC17H23NSi
Molecular Weight276.51 g/mol
Exact Mass276.20
IUPAC Namedeuterio-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]-bis(trideuteriomethyl)silane
SMILES[2H]C([2H])([2H])[Si]([2H])(c1cnc(-c2ccccc2)cc1CC(C)C)C([2H])([2H])[2H]
InChIInChI=1S/C17H23NSi/c1-13(2)10-15-11-16(14-8-6-5-7-9-14)18-12-17(15)19(3)4/h5-9,11-13,19H,10H2,1-4H3/i3D3,4D3,19D
InChIKeyYRLOTDJMEUQAJU-MAQMNSDVSA-N
XLogP3.64
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.51
LogP ≤ 53.64
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

CID 140765379
CID 140765379
deuterio-(6-phenyl-3-pyridinyl)-bis(trideuteriomethyl)silane
CID 159672656
dimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]-phenylsilane
CID 140720405
4-(2-methylpropyl)-5-(1-methylsiletan-1-yl)-2-phenylpyridine
CID 140728004
7-(2-methylpropyl)-3-phenylisoquinoline
CID 170528428
N-[4-[4-(2-methylpropyl)-5-phenyl-2-pyridinyl]phenyl]-1-[1,3,5-trimethyl-3,5-bis[[4-[4-(2-methylpropyl)-5-phenyl-2-pyridinyl]phenyl]iminomethyl]cyclohexyl]methanimine
CID 153438866
2-[4-(2-deuteriopropan-2-yl)phenyl]-4-[dideuterio(phenyl)methyl]-5-phenylpyridine
CID 162710408
iridium;methane;trimethyl-[4-(2-methylpropyl)-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane;trimethyl-[4-(2-methylpropyl)-6-(3-phenylphenyl)-3-pyridinyl]silane
CID 158744529
5-(dideuteriomethyl)-2-phenylpyridine
CID 159925545
4-(bromomethyl)-6-phenylpyridin-3-ol
CID 131609639
4-[4-(1,1-dideuterio-2-methylpropyl)phenyl]-2-phenylpyridine
CID 166564030
4-ethyl-2-(2-methylphenyl)-5-(2-methylpropyl)pyridine
CID 129021064

Frequently Asked Questions

What is the IUPAC name of deuterio-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]-bis(trideuteriomethyl)silane?
The IUPAC name of deuterio-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]-bis(trideuteriomethyl)silane (CID 159672658) is deuterio-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]-bis(trideuteriomethyl)silane.
What is the SMILES notation for deuterio-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]-bis(trideuteriomethyl)silane?
The canonical SMILES for deuterio-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]-bis(trideuteriomethyl)silane is [2H]C([2H])([2H])[Si]([2H])(c1cnc(-c2ccccc2)cc1CC(C)C)C([2H])([2H])[2H].
What is the InChIKey of deuterio-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]-bis(trideuteriomethyl)silane?
The InChIKey is YRLOTDJMEUQAJU-MAQMNSDVSA-N. The full InChI is InChI=1S/C17H23NSi/c1-13(2)10-15-11-16(14-8-6-5-7-9-14)18-12-17(15)19(3)4/h5-9,11-13,19H,10H2,1-4H3/i3D3,4D3,19D.
What are the key properties of deuterio-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]-bis(trideuteriomethyl)silane?
deuterio-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]-bis(trideuteriomethyl)silane has a molecular weight of 276.51 g/mol, XLogP of 3.64, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for deuterio-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]-bis(trideuteriomethyl)silane is sourced from PubChem (CID 159672658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).