trimethyl-[1-methyl-6-[2-methyl-4,5-bis(trideuteriomethyl)phenyl]-4-(trideuteriomethyl)pyridin-1-ium-3-yl]germane

C19H28GeN+ — CID 172534984

IUPACtrimethyl-[1-methyl-6-[2-methyl-4,5-bis(trideuteriomethyl)phenyl]-4-(trideuteriomethyl)pyridin-1-ium-3-yl]germane
SMILES[2H]C([2H])([2H])c1cc(C)c(-c2cc(C([2H])([2H])[2H])c([Ge](C)(C)C)c[n+]2C)cc1C([2H])([2H])[2H]
InChIInChI=1S/C19H28GeN/c1-13-9-15(3)17(10-14(13)2)19-11-16(4)18(12-21(19)8)20(5,6)7/h9-12H,1-8H3/q+1/i1D3,2D3,4D3
InChIKeyTZARALFBLWRSED-FZGWONOOSA-N
MW352.10 g/mol
LogP3.96
Rot. Bonds5

About trimethyl-[1-methyl-6-[2-methyl-4,5-bis(trideuteriomethyl)phenyl]-4-(trideuteriomethyl)pyridin-1-ium-3-yl]germane

trimethyl-[1-methyl-6-[2-methyl-4,5-bis(trideuteriomethyl)phenyl]-4-(trideuteriomethyl)pyridin-1-ium-3-yl]germane (PubChem CID 172534984) has the molecular formula C19H28GeN+ and a molecular weight of 352.10 g/mol. Its IUPAC name is trimethyl-[1-methyl-6-[2-methyl-4,5-bis(trideuteriomethyl)phenyl]-4-(trideuteriomethyl)pyridin-1-ium-3-yl]germane.

Molecular Properties

Compound Nametrimethyl-[1-methyl-6-[2-methyl-4,5-bis(trideuteriomethyl)phenyl]-4-(trideuteriomethyl)pyridin-1-ium-3-yl]germane
PubChem CID172534984
Molecular FormulaC19H28GeN+
Molecular Weight352.10 g/mol
Exact Mass353.20
IUPAC Nametrimethyl-[1-methyl-6-[2-methyl-4,5-bis(trideuteriomethyl)phenyl]-4-(trideuteriomethyl)pyridin-1-ium-3-yl]germane
SMILES[2H]C([2H])([2H])c1cc(C)c(-c2cc(C([2H])([2H])[2H])c([Ge](C)(C)C)c[n+]2C)cc1C([2H])([2H])[2H]
InChIInChI=1S/C19H28GeN/c1-13-9-15(3)17(10-14(13)2)19-11-16(4)18(12-21(19)8)20(5,6)7/h9-12H,1-8H3/q+1/i1D3,2D3,4D3
InChIKeyTZARALFBLWRSED-FZGWONOOSA-N
XLogP3.96
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.10
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-methyl-2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-4,5-bis(trideuteriomethyl)pyridin-1-ium
CID 155773454
4-tert-butyl-5-(1,1-dideuterio-2,2-dimethylpropyl)-1-methyl-2-[2-methyl-4,5-bis(trideuteriomethyl)phenyl]pyridin-1-ium
CID 172534878
2-[5-[3,5-bis(trifluoromethyl)phenyl]-2-methyl-4-(trideuteriomethyl)phenyl]-1-methyl-4,5-bis(trideuteriomethyl)pyridin-1-ium
CID 172534880
[4-(1,1-dideuterio-2,2-dimethylpropyl)-1-methyl-6-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium-3-yl]-trimethylgermane;[1,4-dimethyl-6-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium-3-yl]-trimethylgermane;trimethyl-[1-methyl-6-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium-3-yl]germane
CID 163534825
2-(2,4-dimethyl-5-phenylphenyl)-1,4,5-trimethylpyridin-1-ium;1-methyl-2-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]-4-phenyl-5-(trideuteriomethyl)pyridin-1-ium
CID 160952437
2-[2,5-dimethyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium;2-[2,5-dimethyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-1-methyl-5-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium;2-[2,5-dimethyl-4-(trideuteriomethyl)phenyl]-1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium
CID 158175773
4-methyl-5-[1-methyl-4,5-bis(trideuteriomethyl)pyridin-1-ium-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 165161149
[1,4-dimethyl-6-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium-3-yl]-trimethylsilane
CID 163545923
[6-(4-fluoro-2-methylphenyl)-4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-1-methylpyridin-1-ium-3-yl]-trimethylgermane
CID 172534850
2-[3-[1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-2,4-dimethyl-6-(trideuteriomethyl)phenyl]-1,5-dimethyl-4-(trideuteriomethyl)pyridin-1-ium
CID 159140338
4-tert-butyl-1-methyl-2-[2-methyl-5-(trideuteriomethyl)-4-(trifluoromethyl)phenyl]-5-(trideuteriomethyl)pyridin-1-ium
CID 169309125
[5-tert-butyl-2-(4-tert-butyl-2-methylphenyl)-1-methylpyridin-1-ium-4-yl]-trimethylgermane
CID 159317018

Frequently Asked Questions

What is the IUPAC name of trimethyl-[1-methyl-6-[2-methyl-4,5-bis(trideuteriomethyl)phenyl]-4-(trideuteriomethyl)pyridin-1-ium-3-yl]germane?
The IUPAC name of trimethyl-[1-methyl-6-[2-methyl-4,5-bis(trideuteriomethyl)phenyl]-4-(trideuteriomethyl)pyridin-1-ium-3-yl]germane (CID 172534984) is trimethyl-[1-methyl-6-[2-methyl-4,5-bis(trideuteriomethyl)phenyl]-4-(trideuteriomethyl)pyridin-1-ium-3-yl]germane.
What is the SMILES notation for trimethyl-[1-methyl-6-[2-methyl-4,5-bis(trideuteriomethyl)phenyl]-4-(trideuteriomethyl)pyridin-1-ium-3-yl]germane?
The canonical SMILES for trimethyl-[1-methyl-6-[2-methyl-4,5-bis(trideuteriomethyl)phenyl]-4-(trideuteriomethyl)pyridin-1-ium-3-yl]germane is [2H]C([2H])([2H])c1cc(C)c(-c2cc(C([2H])([2H])[2H])c([Ge](C)(C)C)c[n+]2C)cc1C([2H])([2H])[2H].
What is the InChIKey of trimethyl-[1-methyl-6-[2-methyl-4,5-bis(trideuteriomethyl)phenyl]-4-(trideuteriomethyl)pyridin-1-ium-3-yl]germane?
The InChIKey is TZARALFBLWRSED-FZGWONOOSA-N. The full InChI is InChI=1S/C19H28GeN/c1-13-9-15(3)17(10-14(13)2)19-11-16(4)18(12-21(19)8)20(5,6)7/h9-12H,1-8H3/q+1/i1D3,2D3,4D3.
What are the key properties of trimethyl-[1-methyl-6-[2-methyl-4,5-bis(trideuteriomethyl)phenyl]-4-(trideuteriomethyl)pyridin-1-ium-3-yl]germane?
trimethyl-[1-methyl-6-[2-methyl-4,5-bis(trideuteriomethyl)phenyl]-4-(trideuteriomethyl)pyridin-1-ium-3-yl]germane has a molecular weight of 352.10 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[1-methyl-6-[2-methyl-4,5-bis(trideuteriomethyl)phenyl]-4-(trideuteriomethyl)pyridin-1-ium-3-yl]germane is sourced from PubChem (CID 172534984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).