1-methyl-2-(3,5,5-trimethyl-6-phenanthren-9-ylbenzo[b][1]benzosilol-4-yl)pyridin-1-ium

C35H30NSi+ — CID 169077173

IUPAC1-methyl-2-(3,5,5-trimethyl-6-phenanthren-9-ylbenzo[b][1]benzosilol-4-yl)pyridin-1-ium
SMILESCc1ccc2c(c1-c1cccc[n+]1C)[Si](C)(C)c1c-2cccc1-c1cc2ccccc2c2ccccc12
InChIInChI=1S/C35H30NSi/c1-23-19-20-30-28-16-11-17-29(31-22-24-12-5-6-13-25(24)26-14-7-8-15-27(26)31)34(28)37(3,4)35(30)33(23)32-18-9-10-21-36(32)2/h5-22H,1-4H3/q+1
InChIKeySKLPOJGDWZGCSC-UHFFFAOYSA-N
MW492.72 g/mol
LogP7.26
Rot. Bonds2

About 1-methyl-2-(3,5,5-trimethyl-6-phenanthren-9-ylbenzo[b][1]benzosilol-4-yl)pyridin-1-ium

1-methyl-2-(3,5,5-trimethyl-6-phenanthren-9-ylbenzo[b][1]benzosilol-4-yl)pyridin-1-ium (PubChem CID 169077173) has the molecular formula C35H30NSi+ and a molecular weight of 492.72 g/mol. Its IUPAC name is 1-methyl-2-(3,5,5-trimethyl-6-phenanthren-9-ylbenzo[b][1]benzosilol-4-yl)pyridin-1-ium.

Molecular Properties

Compound Name1-methyl-2-(3,5,5-trimethyl-6-phenanthren-9-ylbenzo[b][1]benzosilol-4-yl)pyridin-1-ium
PubChem CID169077173
Molecular FormulaC35H30NSi+
Molecular Weight492.72 g/mol
Exact Mass492.21
IUPAC Name1-methyl-2-(3,5,5-trimethyl-6-phenanthren-9-ylbenzo[b][1]benzosilol-4-yl)pyridin-1-ium
SMILESCc1ccc2c(c1-c1cccc[n+]1C)[Si](C)(C)c1c-2cccc1-c1cc2ccccc2c2ccccc12
InChIInChI=1S/C35H30NSi/c1-23-19-20-30-28-16-11-17-29(31-22-24-12-5-6-13-25(24)26-14-7-8-15-27(26)31)34(28)37(3,4)35(30)33(23)32-18-9-10-21-36(32)2/h5-22H,1-4H3/q+1
InChIKeySKLPOJGDWZGCSC-UHFFFAOYSA-N
XLogP7.26
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.72
LogP ≤ 57.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 1-methyl-2-(3,5,5-trimethyl-6-phenanthren-9-ylbenzo[b][1]benzosilol-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

2-(3,8-dimethyl-6-phenanthren-9-yldibenzofuran-4-yl)-1-methylpyridin-1-ium
CID 169077236
7-methyl-6-(1-methylpyridin-1-ium-2-yl)-3-phenanthren-9-yldibenzofuran-4-carbonitrile
CID 169077142
2-(1-fluoro-3-methyl-6-phenanthren-9-yldibenzofuran-4-yl)-1-methylpyridin-1-ium
CID 169077209
2-(9-isocyano-3-methyl-6-phenanthren-9-yldibenzofuran-4-yl)-1-methylpyridin-1-ium
CID 169077148
2-(6-benzo[g][1]benzothiol-4-yl-3-methyldibenzofuran-4-yl)-1-methylpyridin-1-ium
CID 170239195
7-methyl-6-(1-methylpyridin-1-ium-2-yl)-2-phenanthren-9-yldibenzofuran-3-carbonitrile
CID 169077090
9-(2-methyl-3-phenanthren-9-ylphenyl)phenanthrene
CID 58099808
2-[6-(2,3-dihydrobenzo[g][1]benzofuran-4-yl)-3-methyldibenzofuran-4-yl]-1-methylpyridin-1-ium
CID 170239164
3,5,5-trimethyl-4-(1-methyl-4-phenylpyridin-1-ium-2-yl)benzo[b][1]benzosilole-6-carbonitrile
CID 170530578
1-methyl-2-(3-methyl-6-naphthalen-2-yldibenzofuran-4-yl)pyridin-1-ium
CID 167357317
ethane;1-methyl-2-(3-methylanthracen-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenanthren-3-yl)pyridin-1-ium;1-methyl-2-(3-methylphenanthren-2-yl)pyridin-1-ium;1-methyl-2-(3-methylphenanthren-4-yl)pyridin-1-ium;1-methyl-2-(4-methylphenanthren-3-yl)pyridin-1-ium
CID 159518590
2-[6-(10-deuterioanthracen-9-yl)-3-methyldibenzofuran-4-yl]-1-methylpyridin-1-ium
CID 169077087

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(3,5,5-trimethyl-6-phenanthren-9-ylbenzo[b][1]benzosilol-4-yl)pyridin-1-ium?
The IUPAC name of 1-methyl-2-(3,5,5-trimethyl-6-phenanthren-9-ylbenzo[b][1]benzosilol-4-yl)pyridin-1-ium (CID 169077173) is 1-methyl-2-(3,5,5-trimethyl-6-phenanthren-9-ylbenzo[b][1]benzosilol-4-yl)pyridin-1-ium.
What is the SMILES notation for 1-methyl-2-(3,5,5-trimethyl-6-phenanthren-9-ylbenzo[b][1]benzosilol-4-yl)pyridin-1-ium?
The canonical SMILES for 1-methyl-2-(3,5,5-trimethyl-6-phenanthren-9-ylbenzo[b][1]benzosilol-4-yl)pyridin-1-ium is Cc1ccc2c(c1-c1cccc[n+]1C)[Si](C)(C)c1c-2cccc1-c1cc2ccccc2c2ccccc12.
What is the InChIKey of 1-methyl-2-(3,5,5-trimethyl-6-phenanthren-9-ylbenzo[b][1]benzosilol-4-yl)pyridin-1-ium?
The InChIKey is SKLPOJGDWZGCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H30NSi/c1-23-19-20-30-28-16-11-17-29(31-22-24-12-5-6-13-25(24)26-14-7-8-15-27(26)31)34(28)37(3,4)35(30)33(23)32-18-9-10-21-36(32)2/h5-22H,1-4H3/q+1.
What are the key properties of 1-methyl-2-(3,5,5-trimethyl-6-phenanthren-9-ylbenzo[b][1]benzosilol-4-yl)pyridin-1-ium?
1-methyl-2-(3,5,5-trimethyl-6-phenanthren-9-ylbenzo[b][1]benzosilol-4-yl)pyridin-1-ium has a molecular weight of 492.72 g/mol, XLogP of 7.26, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(3,5,5-trimethyl-6-phenanthren-9-ylbenzo[b][1]benzosilol-4-yl)pyridin-1-ium is sourced from PubChem (CID 169077173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).