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

C33H36NOSi+ — CID 166051466

IUPACtrimethyl-[7-methyl-6-(1-methylpyridin-1-ium-2-yl)-4-(1,1,3,3-tetradeuterio-2,2-dimethylinden-5-yl)dibenzofuran-2-yl]silane
SMILES[2H]C1([2H])c2ccc(-c3cc([Si](C)(C)C)cc4c3oc3c(-c5cccc[n+]5C)c(C)ccc34)cc2C([2H])([2H])C1(C)C
InChIInChI=1S/C33H36NOSi/c1-21-11-14-26-28-18-25(36(5,6)7)17-27(22-12-13-23-19-33(2,3)20-24(23)16-22)31(28)35-32(26)30(21)29-10-8-9-15-34(29)4/h8-18H,19-20H2,1-7H3/q+1/i19D2,20D2
InChIKeyLHQWBBVCUCZBPO-SKIVKWGGSA-N
MW494.77 g/mol
LogP7.72
Rot. Bonds3

About 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

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 (PubChem CID 166051466) has the molecular formula C33H36NOSi+ and a molecular weight of 494.77 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nametrimethyl-[7-methyl-6-(1-methylpyridin-1-ium-2-yl)-4-(1,1,3,3-tetradeuterio-2,2-dimethylinden-5-yl)dibenzofuran-2-yl]silane
PubChem CID166051466
Molecular FormulaC33H36NOSi+
Molecular Weight494.77 g/mol
Exact Mass494.28
IUPAC Nametrimethyl-[7-methyl-6-(1-methylpyridin-1-ium-2-yl)-4-(1,1,3,3-tetradeuterio-2,2-dimethylinden-5-yl)dibenzofuran-2-yl]silane
SMILES[2H]C1([2H])c2ccc(-c3cc([Si](C)(C)C)cc4c3oc3c(-c5cccc[n+]5C)c(C)ccc34)cc2C([2H])([2H])C1(C)C
InChIInChI=1S/C33H36NOSi/c1-21-11-14-26-28-18-25(36(5,6)7)17-27(22-12-13-23-19-33(2,3)20-24(23)16-22)31(28)35-32(26)30(21)29-10-8-9-15-34(29)4/h8-18H,19-20H2,1-7H3/q+1/i19D2,20D2
InChIKeyLHQWBBVCUCZBPO-SKIVKWGGSA-N
XLogP7.72
TPSA17.02 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.77
LogP ≤ 57.72
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 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 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

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
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
2-[6-(2,3-dihydro-1H-inden-5-yl)-3,7-dimethyldibenzofuran-4-yl]-1-methylpyridin-1-ium
CID 166051369
2-(3,8-dimethyl-6-phenyldibenzofuran-4-yl)-1-methylpyridin-1-ium
CID 167357356
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
7-methyl-6-(1-methylpyrazin-1-ium-2-yl)-4-(1,1,3,3-tetradeuterio-2,2-dimethylinden-5-yl)dibenzofuran-3-carbonitrile
CID 166052149
trimethyl-[7-methyl-6-(1-methylpyridin-1-ium-2-yl)-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)dibenzofuran-3-yl]silane
CID 166051804
2-[8-(2,2-dimethyl-1,3-dihydroinden-5-yl)-7-fluoro-3-methyldibenzofuran-4-yl]-1-methylpyridin-1-ium
CID 167357350
2-[6-(6-cyclohexyl-5,5,8,8-tetradeuterio-6,7-dihydronaphthalen-2-yl)-3-methyldibenzofuran-4-yl]-1-methylpyridin-1-ium
CID 166051706
trimethyl-[7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-3-yl]silane
CID 167358131
1-methyl-2-(3-methyl-6-naphthalen-2-yldibenzofuran-4-yl)pyridin-1-ium
CID 167357317
4-fluoro-2-[7-fluoro-3-methyl-6-(1,1,3,3-tetradeuterio-2,2-dimethylinden-5-yl)dibenzofuran-4-yl]-1-methyl-5-(trideuteriomethyl)pyridin-1-ium
CID 166052110

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [2H]C1([2H])c2ccc(-c3cc([Si](C)(C)C)cc4c3oc3c(-c5cccc[n+]5C)c(C)ccc34)cc2C([2H])([2H])C1(C)C.
What is the InChIKey of 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?
The InChIKey is LHQWBBVCUCZBPO-SKIVKWGGSA-N. The full InChI is InChI=1S/C33H36NOSi/c1-21-11-14-26-28-18-25(36(5,6)7)17-27(22-12-13-23-19-33(2,3)20-24(23)16-22)31(28)35-32(26)30(21)29-10-8-9-15-34(29)4/h8-18H,19-20H2,1-7H3/q+1/i19D2,20D2.
What are the key properties of 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?
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 has a molecular weight of 494.77 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-[7-methyl-6-(1-methylpyridin-1-ium-2-yl)-4-(1,1,3,3-tetradeuterio-2,2-dimethylinden-5-yl)dibenzofuran-2-yl]silane is sourced from PubChem (CID 166051466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).