1-methyl-2-[3-methyl-6-(1,1,3,3-tetradeuterio-2,2-dimethyl-2-benzosilol-4-yl)dibenzofuran-4-yl]pyridin-1-ium

C29H28NOSi+ — CID 166051592

IUPAC1-methyl-2-[3-methyl-6-(1,1,3,3-tetradeuterio-2,2-dimethyl-2-benzosilol-4-yl)dibenzofuran-4-yl]pyridin-1-ium
SMILES[2H]C1([2H])c2cccc(-c3cccc4c3oc3c(-c5cccc[n+]5C)c(C)ccc34)c2C([2H])([2H])[Si]1(C)C
InChIInChI=1S/C29H28NOSi/c1-19-14-15-24-23-12-8-11-22(21-10-7-9-20-17-32(3,4)18-25(20)21)28(23)31-29(24)27(19)26-13-5-6-16-30(26)2/h5-16H,17-18H2,1-4H3/q+1/i17D2,18D2
InChIKeyDPZWTLGQUDJQPW-DBTGQBASSA-N
MW438.66 g/mol
LogP6.94
Rot. Bonds2

About 1-methyl-2-[3-methyl-6-(1,1,3,3-tetradeuterio-2,2-dimethyl-2-benzosilol-4-yl)dibenzofuran-4-yl]pyridin-1-ium

1-methyl-2-[3-methyl-6-(1,1,3,3-tetradeuterio-2,2-dimethyl-2-benzosilol-4-yl)dibenzofuran-4-yl]pyridin-1-ium (PubChem CID 166051592) has the molecular formula C29H28NOSi+ and a molecular weight of 438.66 g/mol. Its IUPAC name is 1-methyl-2-[3-methyl-6-(1,1,3,3-tetradeuterio-2,2-dimethyl-2-benzosilol-4-yl)dibenzofuran-4-yl]pyridin-1-ium.

Molecular Properties

Compound Name1-methyl-2-[3-methyl-6-(1,1,3,3-tetradeuterio-2,2-dimethyl-2-benzosilol-4-yl)dibenzofuran-4-yl]pyridin-1-ium
PubChem CID166051592
Molecular FormulaC29H28NOSi+
Molecular Weight438.66 g/mol
Exact Mass438.22
IUPAC Name1-methyl-2-[3-methyl-6-(1,1,3,3-tetradeuterio-2,2-dimethyl-2-benzosilol-4-yl)dibenzofuran-4-yl]pyridin-1-ium
SMILES[2H]C1([2H])c2cccc(-c3cccc4c3oc3c(-c5cccc[n+]5C)c(C)ccc34)c2C([2H])([2H])[Si]1(C)C
InChIInChI=1S/C29H28NOSi/c1-19-14-15-24-23-12-8-11-22(21-10-7-9-20-17-32(3,4)18-25(20)21)28(23)31-29(24)27(19)26-13-5-6-16-30(26)2/h5-16H,17-18H2,1-4H3/q+1/i17D2,18D2
InChIKeyDPZWTLGQUDJQPW-DBTGQBASSA-N
XLogP6.94
TPSA17.02 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.66
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-methyl-2-[3-methyl-6-(1,1,3,3-tetradeuterio-2,2-dimethyl-2-benzosilol-4-yl)dibenzofuran-4-yl]pyridin-1-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-2-[3-methyl-6-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)dibenzofuran-4-yl]pyridin-1-ium
CID 166052163
2-[6-(4,4-dideuterio-2,3-dihydroselenochromen-8-yl)-3-methyldibenzofuran-4-yl]-1-methylpyridin-1-ium
CID 166051510
2-[6-(6-cyclohexyl-5,5,8,8-tetradeuterio-6,7-dihydronaphthalen-1-yl)-3-methyldibenzofuran-4-yl]-1-methylpyridin-1-ium
CID 166051950
2-[6-(4,4-dideuterio-2,3-dihydrothiochromen-5-yl)-3-methyldibenzofuran-4-yl]-1-methylpyridin-1-ium
CID 166051847
2-[7-fluoro-3-methyl-6-(1,1,3,3-tetradeuterio-2-benzoselenophen-4-yl)dibenzofuran-4-yl]-1-methylpyridin-1-ium
CID 166050981
1-methyl-2-[3-methyl-6-(6-methyl-2,3-dihydro-1H-inden-4-yl)dibenzofuran-4-yl]pyridin-1-ium
CID 166051543
2-[7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine
CID 176787862
4,4-dideuterio-8-[7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-4-yl]-1-phenyl-2,3-dihydroquinoline
CID 166051936
2-[6-(10-deuterioanthracen-9-yl)-3-methyldibenzofuran-4-yl]-1-methylpyridin-1-ium
CID 169077087
4-[3-fluoro-7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-4-yl]-2-methyl-1,3-dihydroisoindole
CID 166051451
2-[6-(5-cyclopentyl-5,6,7,8-tetrahydronaphthalen-1-yl)-3-methyldibenzofuran-4-yl]-1-methylpyridin-1-ium
CID 166051479
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

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[3-methyl-6-(1,1,3,3-tetradeuterio-2,2-dimethyl-2-benzosilol-4-yl)dibenzofuran-4-yl]pyridin-1-ium?
The IUPAC name of 1-methyl-2-[3-methyl-6-(1,1,3,3-tetradeuterio-2,2-dimethyl-2-benzosilol-4-yl)dibenzofuran-4-yl]pyridin-1-ium (CID 166051592) is 1-methyl-2-[3-methyl-6-(1,1,3,3-tetradeuterio-2,2-dimethyl-2-benzosilol-4-yl)dibenzofuran-4-yl]pyridin-1-ium.
What is the SMILES notation for 1-methyl-2-[3-methyl-6-(1,1,3,3-tetradeuterio-2,2-dimethyl-2-benzosilol-4-yl)dibenzofuran-4-yl]pyridin-1-ium?
The canonical SMILES for 1-methyl-2-[3-methyl-6-(1,1,3,3-tetradeuterio-2,2-dimethyl-2-benzosilol-4-yl)dibenzofuran-4-yl]pyridin-1-ium is [2H]C1([2H])c2cccc(-c3cccc4c3oc3c(-c5cccc[n+]5C)c(C)ccc34)c2C([2H])([2H])[Si]1(C)C.
What is the InChIKey of 1-methyl-2-[3-methyl-6-(1,1,3,3-tetradeuterio-2,2-dimethyl-2-benzosilol-4-yl)dibenzofuran-4-yl]pyridin-1-ium?
The InChIKey is DPZWTLGQUDJQPW-DBTGQBASSA-N. The full InChI is InChI=1S/C29H28NOSi/c1-19-14-15-24-23-12-8-11-22(21-10-7-9-20-17-32(3,4)18-25(20)21)28(23)31-29(24)27(19)26-13-5-6-16-30(26)2/h5-16H,17-18H2,1-4H3/q+1/i17D2,18D2.
What are the key properties of 1-methyl-2-[3-methyl-6-(1,1,3,3-tetradeuterio-2,2-dimethyl-2-benzosilol-4-yl)dibenzofuran-4-yl]pyridin-1-ium?
1-methyl-2-[3-methyl-6-(1,1,3,3-tetradeuterio-2,2-dimethyl-2-benzosilol-4-yl)dibenzofuran-4-yl]pyridin-1-ium has a molecular weight of 438.66 g/mol, XLogP of 6.94, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[3-methyl-6-(1,1,3,3-tetradeuterio-2,2-dimethyl-2-benzosilol-4-yl)dibenzofuran-4-yl]pyridin-1-ium is sourced from PubChem (CID 166051592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).