2-(4-isocyano-5,5-dimethylbenzo[b][1]benzosilol-6-yl)pyridine

C20H16N2Si — CID 154616018

IUPAC2-(4-isocyano-5,5-dimethylbenzo[b][1]benzosilol-6-yl)pyridine
SMILES[C-]#[N+]c1cccc2c1[Si](C)(C)c1c(-c3ccccn3)cccc1-2
InChIInChI=1S/C20H16N2Si/c1-21-18-12-7-9-15-14-8-6-10-16(17-11-4-5-13-22-17)19(14)23(2,3)20(15)18/h4-13H,2-3H3
InChIKeyAUQDPSRNSGHMJI-UHFFFAOYSA-N
MW312.45 g/mol
LogP4.10
Rot. Bonds1

About 2-(4-isocyano-5,5-dimethylbenzo[b][1]benzosilol-6-yl)pyridine

2-(4-isocyano-5,5-dimethylbenzo[b][1]benzosilol-6-yl)pyridine (PubChem CID 154616018) has the molecular formula C20H16N2Si and a molecular weight of 312.45 g/mol. Its IUPAC name is 2-(4-isocyano-5,5-dimethylbenzo[b][1]benzosilol-6-yl)pyridine.

Molecular Properties

Compound Name2-(4-isocyano-5,5-dimethylbenzo[b][1]benzosilol-6-yl)pyridine
PubChem CID154616018
Molecular FormulaC20H16N2Si
Molecular Weight312.45 g/mol
Exact Mass312.11
IUPAC Name2-(4-isocyano-5,5-dimethylbenzo[b][1]benzosilol-6-yl)pyridine
SMILES[C-]#[N+]c1cccc2c1[Si](C)(C)c1c(-c3ccccn3)cccc1-2
InChIInChI=1S/C20H16N2Si/c1-21-18-12-7-9-15-14-8-6-10-16(17-11-4-5-13-22-17)19(14)23(2,3)20(15)18/h4-13H,2-3H3
InChIKeyAUQDPSRNSGHMJI-UHFFFAOYSA-N
XLogP4.10
TPSA17.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.45
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(6-isocyanodibenzoselenophen-4-yl)pyridine
CID 154616215
2-(5,5-dimethyl-2-pyridin-3-ylbenzo[b][1]benzosilol-6-yl)pyridine
CID 153492988
2-(5-fluoro-4-isocyano-2-methylphenyl)pyridine
CID 153319439
2-(6-fluoro-7-isocyanodibenzofuran-4-yl)pyridine
CID 154616033
2-methyl-3-pyridin-2-ylbenzenethiol
CID 66915624
2-(6-fluoro-7-isocyanodibenzoselenophen-4-yl)pyridine
CID 154615297
2-(2-methylphenyl)pyridine
CID 144596153
4-isocyano-6-pyridin-2-ylbenzene-1,3-dicarbonitrile
CID 168823207
cesium 2,6-dipyridin-2-ylphenolate
CID 59522981
2,3-dipyridin-2-ylpyridine;platinum
CID 87064106
2-(2-fluoro-3-methylphenyl)pyridine
CID 175536337
CID 158478788
CID 158478788

Frequently Asked Questions

What is the IUPAC name of 2-(4-isocyano-5,5-dimethylbenzo[b][1]benzosilol-6-yl)pyridine?
The IUPAC name of 2-(4-isocyano-5,5-dimethylbenzo[b][1]benzosilol-6-yl)pyridine (CID 154616018) is 2-(4-isocyano-5,5-dimethylbenzo[b][1]benzosilol-6-yl)pyridine.
What is the SMILES notation for 2-(4-isocyano-5,5-dimethylbenzo[b][1]benzosilol-6-yl)pyridine?
The canonical SMILES for 2-(4-isocyano-5,5-dimethylbenzo[b][1]benzosilol-6-yl)pyridine is [C-]#[N+]c1cccc2c1[Si](C)(C)c1c(-c3ccccn3)cccc1-2.
What is the InChIKey of 2-(4-isocyano-5,5-dimethylbenzo[b][1]benzosilol-6-yl)pyridine?
The InChIKey is AUQDPSRNSGHMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2Si/c1-21-18-12-7-9-15-14-8-6-10-16(17-11-4-5-13-22-17)19(14)23(2,3)20(15)18/h4-13H,2-3H3.
What are the key properties of 2-(4-isocyano-5,5-dimethylbenzo[b][1]benzosilol-6-yl)pyridine?
2-(4-isocyano-5,5-dimethylbenzo[b][1]benzosilol-6-yl)pyridine has a molecular weight of 312.45 g/mol, XLogP of 4.10, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-isocyano-5,5-dimethylbenzo[b][1]benzosilol-6-yl)pyridine is sourced from PubChem (CID 154616018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).