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

C36H42NOSi+ — CID 166051804

IUPACtrimethyl-[7-methyl-6-(1-methylpyridin-1-ium-2-yl)-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)dibenzofuran-3-yl]silane
SMILESCc1ccc2c(oc3c(-c4ccc5c(c4)C(C)(C)CCC5(C)C)c([Si](C)(C)C)ccc32)c1-c1cccc[n+]1C
InChIInChI=1S/C36H42NOSi/c1-23-13-15-25-26-16-18-30(39(7,8)9)32(34(26)38-33(25)31(23)29-12-10-11-21-37(29)6)24-14-17-27-28(22-24)36(4,5)20-19-35(27,2)3/h10-18,21-22H,19-20H2,1-9H3/q+1
InChIKeyYISLXQQUBMGRIN-UHFFFAOYSA-N
MW532.82 g/mol
LogP8.95
Rot. Bonds3

About 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

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 (PubChem CID 166051804) has the molecular formula C36H42NOSi+ and a molecular weight of 532.82 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nametrimethyl-[7-methyl-6-(1-methylpyridin-1-ium-2-yl)-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)dibenzofuran-3-yl]silane
PubChem CID166051804
Molecular FormulaC36H42NOSi+
Molecular Weight532.82 g/mol
Exact Mass532.30
IUPAC Nametrimethyl-[7-methyl-6-(1-methylpyridin-1-ium-2-yl)-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)dibenzofuran-3-yl]silane
SMILESCc1ccc2c(oc3c(-c4ccc5c(c4)C(C)(C)CCC5(C)C)c([Si](C)(C)C)ccc32)c1-c1cccc[n+]1C
InChIInChI=1S/C36H42NOSi/c1-23-13-15-25-26-16-18-30(39(7,8)9)32(34(26)38-33(25)31(23)29-12-10-11-21-37(29)6)24-14-17-27-28(22-24)36(4,5)20-19-35(27,2)3/h10-18,21-22H,19-20H2,1-9H3/q+1
InChIKeyYISLXQQUBMGRIN-UHFFFAOYSA-N
XLogP8.95
TPSA17.02 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.82
LogP ≤ 58.95
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-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)dibenzofuran-3-yl]silane with MolForge

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Related Compounds

1-methyl-2-[3-methyl-7-(1,1,3,3-tetramethyl-2H-inden-5-yl)dibenzofuran-4-yl]pyridin-1-ium
CID 167357324
2-[7-fluoro-3-methyl-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)dibenzothiophen-4-yl]-1-methylpyridin-1-ium
CID 166052138
6,17,17,20,20-pentamethyl-5-(1-methylpyridin-1-ium-2-yl)-3-oxa-12-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1,4(9),5,7,10,12,14,16(21)-octaene
CID 176822456
2-[6-(2,3-dihydro-1H-inden-5-yl)-3,7-dimethyldibenzofuran-4-yl]-1-methylpyridin-1-ium
CID 166051369
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
2-[7-fluoro-3-methyl-6-(5,5,10,10-tetramethylbenzo[b][1]benzosilin-2-yl)dibenzofuran-4-yl]-1-methylpyridin-1-ium
CID 166051944
2-[6-(9,9-dimethylxanthen-2-yl)-7-fluoro-3-methyldibenzofuran-4-yl]-1-methylpyridin-1-ium
CID 166051552
2-[7-fluoro-3-methyl-6-(5,5,10,10-tetramethylbenzo[b][1]benzogermin-3-yl)dibenzofuran-4-yl]-1-methylpyridin-1-ium
CID 166051276
2-[6-[4-(1-deuteriocyclopentyl)-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]-3-methyldibenzofuran-4-yl]-1-methylpyridin-1-ium
CID 166052022
4-(9,9-dimethylfluoren-2-yl)-7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-3-carbonitrile
CID 164849563
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-[3-methyl-4-(4-methylphenyl)phenyl]dibenzofuran-4-yl]-1-methylpyridin-1-ium
CID 167357440

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc2c(oc3c(-c4ccc5c(c4)C(C)(C)CCC5(C)C)c([Si](C)(C)C)ccc32)c1-c1cccc[n+]1C.
What is the InChIKey of 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?
The InChIKey is YISLXQQUBMGRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H42NOSi/c1-23-13-15-25-26-16-18-30(39(7,8)9)32(34(26)38-33(25)31(23)29-12-10-11-21-37(29)6)24-14-17-27-28(22-24)36(4,5)20-19-35(27,2)3/h10-18,21-22H,19-20H2,1-9H3/q+1.
What are the key properties of 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?
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 has a molecular weight of 532.82 g/mol, XLogP of 8.95, 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-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)dibenzofuran-3-yl]silane is sourced from PubChem (CID 166051804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).