[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

C75H96Ge3N3+3 — CID 163534825

IUPAC[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
SMILES[2H]C([2H])([2H])c1cc(C)c(-c2cc(C([2H])([2H])C(C)(C)C)c([Ge](C)(C)C)c[n+]2C)cc1-c1ccccc1.[2H]C([2H])([2H])c1cc(C)c(-c2cc(C)c([Ge](C)(C)C)c[n+]2C)cc1-c1ccccc1.[2H]C([2H])([2H])c1cc(C)c(-c2ccc([Ge](C)(C)C)c[n+]2C)cc1-c1ccccc1
InChIInChI=1S/C28H38GeN.C24H30GeN.C23H28GeN/c1-20-15-21(2)25(17-24(20)22-13-11-10-12-14-22)27-16-23(18-28(3,4)5)26(19-30(27)9)29(6,7)8;1-17-13-18(2)22(15-21(17)20-11-9-8-10-12-20)24-14-19(3)23(16-26(24)7)25(4,5)6;1-17-14-18(2)22(15-21(17)19-10-8-7-9-11-19)23-13-12-20(16-25(23)6)24(3,4)5/h10-17,19H,18H2,1-9H3;8-16H,1-7H3;7-16H,1-6H3/q3*+1/i1D3,18D2;2*1D3
InChIKeyJGBBTPZKHJCAFV-XAJGUEQHSA-N
MW1268.51 g/mol
LogP16.92
Rot. Bonds13

About [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

[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 (PubChem CID 163534825) has the molecular formula C75H96Ge3N3+3 and a molecular weight of 1268.51 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID163534825
Molecular FormulaC75H96Ge3N3+3
Molecular Weight1268.51 g/mol
Exact Mass1271.59
IUPAC Name[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
SMILES[2H]C([2H])([2H])c1cc(C)c(-c2cc(C([2H])([2H])C(C)(C)C)c([Ge](C)(C)C)c[n+]2C)cc1-c1ccccc1.[2H]C([2H])([2H])c1cc(C)c(-c2cc(C)c([Ge](C)(C)C)c[n+]2C)cc1-c1ccccc1.[2H]C([2H])([2H])c1cc(C)c(-c2ccc([Ge](C)(C)C)c[n+]2C)cc1-c1ccccc1
InChIInChI=1S/C28H38GeN.C24H30GeN.C23H28GeN/c1-20-15-21(2)25(17-24(20)22-13-11-10-12-14-22)27-16-23(18-28(3,4)5)26(19-30(27)9)29(6,7)8;1-17-13-18(2)22(15-21(17)20-11-9-8-10-12-20)24-14-19(3)23(16-26(24)7)25(4,5)6;1-17-14-18(2)22(15-21(17)19-10-8-7-9-11-19)23-13-12-20(16-25(23)6)24(3,4)5/h10-17,19H,18H2,1-9H3;8-16H,1-7H3;7-16H,1-6H3/q3*+1/i1D3,18D2;2*1D3
InChIKeyJGBBTPZKHJCAFV-XAJGUEQHSA-N
XLogP16.92
TPSA11.64 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001268.51
LogP ≤ 516.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [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 with MolForge

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Related Compounds

5-(1,1-dideuterio-2,2-dimethylpropyl)-1,4-dimethyl-2-[2-methyl-5-(4-methylphenyl)-4-(trideuteriomethyl)phenyl]pyridin-1-ium
CID 163527251
4,5-bis(1,1-dideuterio-2,2-dimethylpropyl)-2-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-methylphenyl]-1-methylpyridin-1-ium;4,5-bis(1,1-dideuterio-2,2-dimethylpropyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4,5-bis(1,1-dideuterio-2,2-dimethylpropyl)-1-methyl-2-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;4,5-bis(1,1-dideuterio-2,2-dimethylpropyl)-1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium
CID 159227403
4-(1,1-dideuterio-2,2-dimethylpropyl)-1-methyl-2-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium
CID 140920752
4-(1,1-dideuterio-2,2-dimethylpropyl)-1-methyl-2-(2-methyl-5-phenylphenyl)-5-(trideuteriomethyl)pyridin-1-ium
CID 140920629
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
4-(2-deuteriopropan-2-yl)-1-methyl-2-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)pyridin-1-ium;4-(1,1-dideuterio-2,2-dimethylpropyl)-1-methyl-2-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)pyridin-1-ium;4-(1,1-dideuterio-2-methylpropyl)-1-methyl-2-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)pyridin-1-ium;1,4-dimethyl-2-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-[2-methyl-4-(trideuteriomethyl)-5-[2-(trideuteriomethyl)phenyl]phenyl]pyridin-1-ium
CID 158857032
5-(2-deuteriopropan-2-yl)-1,4-dimethyl-2-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;5-(1,1-dideuterio-2,2-dimethylpropyl)-1,4-dimethyl-2-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;5-(1,1-dideuterio-2-methylpropyl)-1,4-dimethyl-2-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;2-(2,4-dimethyl-5-phenylphenyl)-1,4-dimethyl-5-(2-methylpropyl)pyridin-1-ium;2-(2,4-dimethyl-5-phenylphenyl)-5-(2,2-dimethylpropyl)-1,4-dimethylpyridin-1-ium
CID 157497880
[1,4-dimethyl-6-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium-3-yl]-trimethylsilane
CID 163545923
4-(1-deuteriocyclohexyl)-1-methyl-2-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)pyridin-1-ium;4-(1-deuteriocyclopentyl)-1-methyl-2-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)pyridin-1-ium;4-(2-deuteriopropan-2-yl)-1-methyl-2-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)pyridin-1-ium;4-(1,1-dideuterio-2,2-dimethylpropyl)-1-methyl-2-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)pyridin-1-ium;4-(1,1-dideuterio-2-methylpropyl)-1-methyl-2-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)pyridin-1-ium
CID 163794698
trimethyl-[1-methyl-6-[2-methyl-4,5-bis(trideuteriomethyl)phenyl]-4-(trideuteriomethyl)pyridin-1-ium-3-yl]germane
CID 172534984
2-(2,4-dimethyl-5-phenylphenyl)-5-(2,2-dimethylpropyl)-1-methylpyridin-1-ium
CID 169322190
4,5-bis(1,1-dideuterio-2-methylpropyl)-1-methyl-2-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;1-methyl-2-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]-4,5-bis(trideuteriomethyl)pyridin-1-ium;1-methyl-2-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]-4-phenyl-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium
CID 159428965

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is [2H]C([2H])([2H])c1cc(C)c(-c2cc(C([2H])([2H])C(C)(C)C)c([Ge](C)(C)C)c[n+]2C)cc1-c1ccccc1.[2H]C([2H])([2H])c1cc(C)c(-c2cc(C)c([Ge](C)(C)C)c[n+]2C)cc1-c1ccccc1.[2H]C([2H])([2H])c1cc(C)c(-c2ccc([Ge](C)(C)C)c[n+]2C)cc1-c1ccccc1.
What is the InChIKey of [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?
The InChIKey is JGBBTPZKHJCAFV-XAJGUEQHSA-N. The full InChI is InChI=1S/C28H38GeN.C24H30GeN.C23H28GeN/c1-20-15-21(2)25(17-24(20)22-13-11-10-12-14-22)27-16-23(18-28(3,4)5)26(19-30(27)9)29(6,7)8;1-17-13-18(2)22(15-21(17)20-11-9-8-10-12-20)24-14-19(3)23(16-26(24)7)25(4,5)6;1-17-14-18(2)22(15-21(17)19-10-8-7-9-11-19)23-13-12-20(16-25(23)6)24(3,4)5/h10-17,19H,18H2,1-9H3;8-16H,1-7H3;7-16H,1-6H3/q3*+1/i1D3,18D2;2*1D3.
What are the key properties of [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?
[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 has a molecular weight of 1268.51 g/mol, XLogP of 16.92, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 163534825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).