trimethyl-[3-methyl-4-(1-methylpyridin-1-ium-2-yl)-6-(1,1,3,3-tetradeuterio-2,2-dimethylinden-5-yl)dibenzofuran-1-yl]germane

C33H36GeNO+ — CID 166050972

IUPACtrimethyl-[3-methyl-4-(1-methylpyridin-1-ium-2-yl)-6-(1,1,3,3-tetradeuterio-2,2-dimethylinden-5-yl)dibenzofuran-1-yl]germane
SMILES[2H]C1([2H])c2ccc(-c3cccc4c3oc3c(-c5cccc[n+]5C)c(C)cc([Ge](C)(C)C)c34)cc2C([2H])([2H])C1(C)C
InChIInChI=1S/C33H36GeNO/c1-21-17-27(34(4,5)6)30-26-12-10-11-25(22-14-15-23-19-33(2,3)20-24(23)18-22)31(26)36-32(30)29(21)28-13-8-9-16-35(28)7/h8-18H,19-20H2,1-7H3/q+1/i19D2,20D2
InChIKeyOFPJCTBKGBEUOA-SKIVKWGGSA-N
MW539.29 g/mol
LogP7.72
Rot. Bonds3

About trimethyl-[3-methyl-4-(1-methylpyridin-1-ium-2-yl)-6-(1,1,3,3-tetradeuterio-2,2-dimethylinden-5-yl)dibenzofuran-1-yl]germane

trimethyl-[3-methyl-4-(1-methylpyridin-1-ium-2-yl)-6-(1,1,3,3-tetradeuterio-2,2-dimethylinden-5-yl)dibenzofuran-1-yl]germane (PubChem CID 166050972) has the molecular formula C33H36GeNO+ and a molecular weight of 539.29 g/mol. Its IUPAC name is trimethyl-[3-methyl-4-(1-methylpyridin-1-ium-2-yl)-6-(1,1,3,3-tetradeuterio-2,2-dimethylinden-5-yl)dibenzofuran-1-yl]germane.

Molecular Properties

Compound Nametrimethyl-[3-methyl-4-(1-methylpyridin-1-ium-2-yl)-6-(1,1,3,3-tetradeuterio-2,2-dimethylinden-5-yl)dibenzofuran-1-yl]germane
PubChem CID166050972
Molecular FormulaC33H36GeNO+
Molecular Weight539.29 g/mol
Exact Mass540.23
IUPAC Nametrimethyl-[3-methyl-4-(1-methylpyridin-1-ium-2-yl)-6-(1,1,3,3-tetradeuterio-2,2-dimethylinden-5-yl)dibenzofuran-1-yl]germane
SMILES[2H]C1([2H])c2ccc(-c3cccc4c3oc3c(-c5cccc[n+]5C)c(C)cc([Ge](C)(C)C)c34)cc2C([2H])([2H])C1(C)C
InChIInChI=1S/C33H36GeNO/c1-21-17-27(34(4,5)6)30-26-12-10-11-25(22-14-15-23-19-33(2,3)20-24(23)18-22)31(26)36-32(30)29(21)28-13-8-9-16-35(28)7/h8-18H,19-20H2,1-7H3/q+1/i19D2,20D2
InChIKeyOFPJCTBKGBEUOA-SKIVKWGGSA-N
XLogP7.72
TPSA17.02 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.29
LogP ≤ 57.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

trimethyl-[7-methyl-6-(1-methylpyridin-1-ium-2-yl)-4-(1,1,3,3-tetradeuterio-2,2-dimethylinden-5-yl)dibenzofuran-2-yl]silane
CID 166051466
2-[7-fluoro-3-methyl-6-(1,1,3,3-tetradeuterio-2,2-dimethylinden-5-yl)dibenzofuran-4-yl]-1-methylpyridin-1-ium
CID 166051886
7-methyl-6-(1-methylpyridin-1-ium-2-yl)-4-(4-phenylphenyl)-9-trimethylgermyldibenzofuran-3-carbonitrile
CID 164849540
2-[6-(4,4-dideuterio-1,1-dimethyl-2,3-dihydro-1-benzogermin-7-yl)-3-methyldibenzofuran-4-yl]-1-methylpyridin-1-ium
CID 166052140
2-[6-(6-cyclohexyl-5,5,8,8-tetradeuterio-6,7-dihydronaphthalen-2-yl)-3-methyldibenzofuran-4-yl]-1-methylpyridin-1-ium
CID 166051706
2-[7,9-dimethyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-4-yl]benzonitrile
CID 166043460
1-methyl-2-(3-methyl-6-naphthalen-2-yldibenzofuran-4-yl)pyridin-1-ium
CID 167357317
9,9,10-trimethyl-2-[7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-4-yl]acridine
CID 166052158
2-[6-isocyano-3-methyl-1-(4-methylphenyl)dibenzofuran-4-yl]-1-methylpyridin-1-ium
CID 154615420
2-(1-fluoro-3-methyl-6-phenanthren-9-yldibenzofuran-4-yl)-1-methylpyridin-1-ium
CID 169077209
3,6-dimethyl-4-(1-methylpyridin-1-ium-2-yl)dibenzofuran-1-carbonitrile
CID 154616188
1-methyl-2-(3-methyl-19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-2-yl)pyridin-1-ium
CID 148768297

Frequently Asked Questions

What is the IUPAC name of trimethyl-[3-methyl-4-(1-methylpyridin-1-ium-2-yl)-6-(1,1,3,3-tetradeuterio-2,2-dimethylinden-5-yl)dibenzofuran-1-yl]germane?
The IUPAC name of trimethyl-[3-methyl-4-(1-methylpyridin-1-ium-2-yl)-6-(1,1,3,3-tetradeuterio-2,2-dimethylinden-5-yl)dibenzofuran-1-yl]germane (CID 166050972) is trimethyl-[3-methyl-4-(1-methylpyridin-1-ium-2-yl)-6-(1,1,3,3-tetradeuterio-2,2-dimethylinden-5-yl)dibenzofuran-1-yl]germane.
What is the SMILES notation for trimethyl-[3-methyl-4-(1-methylpyridin-1-ium-2-yl)-6-(1,1,3,3-tetradeuterio-2,2-dimethylinden-5-yl)dibenzofuran-1-yl]germane?
The canonical SMILES for trimethyl-[3-methyl-4-(1-methylpyridin-1-ium-2-yl)-6-(1,1,3,3-tetradeuterio-2,2-dimethylinden-5-yl)dibenzofuran-1-yl]germane is [2H]C1([2H])c2ccc(-c3cccc4c3oc3c(-c5cccc[n+]5C)c(C)cc([Ge](C)(C)C)c34)cc2C([2H])([2H])C1(C)C.
What is the InChIKey of trimethyl-[3-methyl-4-(1-methylpyridin-1-ium-2-yl)-6-(1,1,3,3-tetradeuterio-2,2-dimethylinden-5-yl)dibenzofuran-1-yl]germane?
The InChIKey is OFPJCTBKGBEUOA-SKIVKWGGSA-N. The full InChI is InChI=1S/C33H36GeNO/c1-21-17-27(34(4,5)6)30-26-12-10-11-25(22-14-15-23-19-33(2,3)20-24(23)18-22)31(26)36-32(30)29(21)28-13-8-9-16-35(28)7/h8-18H,19-20H2,1-7H3/q+1/i19D2,20D2.
What are the key properties of trimethyl-[3-methyl-4-(1-methylpyridin-1-ium-2-yl)-6-(1,1,3,3-tetradeuterio-2,2-dimethylinden-5-yl)dibenzofuran-1-yl]germane?
trimethyl-[3-methyl-4-(1-methylpyridin-1-ium-2-yl)-6-(1,1,3,3-tetradeuterio-2,2-dimethylinden-5-yl)dibenzofuran-1-yl]germane has a molecular weight of 539.29 g/mol, XLogP of 7.72, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[3-methyl-4-(1-methylpyridin-1-ium-2-yl)-6-(1,1,3,3-tetradeuterio-2,2-dimethylinden-5-yl)dibenzofuran-1-yl]germane is sourced from PubChem (CID 166050972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).