[6-(6-tert-butyl-1-phenylimidazo[4,5-b]pyridin-2-yl)dibenzofuran-3-yl]-trimethylsilane

C31H31N3OSi — CID 164826115

IUPAC[6-(6-tert-butyl-1-phenylimidazo[4,5-b]pyridin-2-yl)dibenzofuran-3-yl]-trimethylsilane
SMILESCC(C)(C)c1cnc2nc(-c3cccc4c3oc3cc([Si](C)(C)C)ccc34)n(-c3ccccc3)c2c1
InChIInChI=1S/C31H31N3OSi/c1-31(2,3)20-17-26-29(32-19-20)33-30(34(26)21-11-8-7-9-12-21)25-14-10-13-24-23-16-15-22(36(4,5)6)18-27(23)35-28(24)25/h7-19H,1-6H3
InChIKeyNYPKCTJEMANBNW-UHFFFAOYSA-N
MW489.70 g/mol
LogP7.83
Rot. Bonds3

About [6-(6-tert-butyl-1-phenylimidazo[4,5-b]pyridin-2-yl)dibenzofuran-3-yl]-trimethylsilane

[6-(6-tert-butyl-1-phenylimidazo[4,5-b]pyridin-2-yl)dibenzofuran-3-yl]-trimethylsilane (PubChem CID 164826115) has the molecular formula C31H31N3OSi and a molecular weight of 489.70 g/mol. Its IUPAC name is [6-(6-tert-butyl-1-phenylimidazo[4,5-b]pyridin-2-yl)dibenzofuran-3-yl]-trimethylsilane.

Molecular Properties

Compound Name[6-(6-tert-butyl-1-phenylimidazo[4,5-b]pyridin-2-yl)dibenzofuran-3-yl]-trimethylsilane
PubChem CID164826115
Molecular FormulaC31H31N3OSi
Molecular Weight489.70 g/mol
Exact Mass489.22
IUPAC Name[6-(6-tert-butyl-1-phenylimidazo[4,5-b]pyridin-2-yl)dibenzofuran-3-yl]-trimethylsilane
SMILESCC(C)(C)c1cnc2nc(-c3cccc4c3oc3cc([Si](C)(C)C)ccc34)n(-c3ccccc3)c2c1
InChIInChI=1S/C31H31N3OSi/c1-31(2,3)20-17-26-29(32-19-20)33-30(34(26)21-11-8-7-9-12-21)25-14-10-13-24-23-16-15-22(36(4,5)6)18-27(23)35-28(24)25/h7-19H,1-6H3
InChIKeyNYPKCTJEMANBNW-UHFFFAOYSA-N
XLogP7.83
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.70
LogP ≤ 57.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-tert-butyl-2-dibenzofuran-4-yl-1-phenylimidazo[4,5-b]pyridine
CID 164826557
[6-(6-tert-butyl-1-phenylimidazo[4,5-c]pyridin-2-yl)dibenzofuran-3-yl]-trimethylsilane
CID 164825170
[6-(6-tert-butyl-3-phenylimidazo[4,5-c]pyridin-2-yl)dibenzofuran-3-yl]-trimethylsilane
CID 164826811
6-tert-butyl-2-(1-methyldibenzofuran-4-yl)-1-phenylimidazo[4,5-b]pyridine
CID 164826244
6-methyl-1-phenyl-2-(7-phenyldibenzofuran-4-yl)imidazo[4,5-b]pyridine
CID 164826959
trimethyl-[6-(7-methyl-1-phenylimidazo[4,5-c]pyridin-2-yl)dibenzofuran-3-yl]silane
CID 164826478
5-methyl-1-phenyl-2-(7-phenyldibenzofuran-4-yl)imidazo[4,5-b]pyridine
CID 164824506
2-(7-fluorodibenzofuran-4-yl)-6-methyl-1-phenylimidazo[4,5-c]pyridine
CID 164827019
[6-(1,5-diphenylimidazo[4,5-b]pyridin-2-yl)dibenzofuran-3-yl]-trimethylgermane
CID 164825640
2-(7-fluorodibenzofuran-4-yl)-3-phenylimidazo[4,5-b]quinoxaline
CID 164826444
7-tert-butyl-2-dibenzofuran-4-yl-3-phenylimidazo[4,5-c]pyridine
CID 164827202
[6-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]dibenzofuran-3-yl]-trimethylsilane
CID 170931382

Frequently Asked Questions

What is the IUPAC name of [6-(6-tert-butyl-1-phenylimidazo[4,5-b]pyridin-2-yl)dibenzofuran-3-yl]-trimethylsilane?
The IUPAC name of [6-(6-tert-butyl-1-phenylimidazo[4,5-b]pyridin-2-yl)dibenzofuran-3-yl]-trimethylsilane (CID 164826115) is [6-(6-tert-butyl-1-phenylimidazo[4,5-b]pyridin-2-yl)dibenzofuran-3-yl]-trimethylsilane.
What is the SMILES notation for [6-(6-tert-butyl-1-phenylimidazo[4,5-b]pyridin-2-yl)dibenzofuran-3-yl]-trimethylsilane?
The canonical SMILES for [6-(6-tert-butyl-1-phenylimidazo[4,5-b]pyridin-2-yl)dibenzofuran-3-yl]-trimethylsilane is CC(C)(C)c1cnc2nc(-c3cccc4c3oc3cc([Si](C)(C)C)ccc34)n(-c3ccccc3)c2c1.
What is the InChIKey of [6-(6-tert-butyl-1-phenylimidazo[4,5-b]pyridin-2-yl)dibenzofuran-3-yl]-trimethylsilane?
The InChIKey is NYPKCTJEMANBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31N3OSi/c1-31(2,3)20-17-26-29(32-19-20)33-30(34(26)21-11-8-7-9-12-21)25-14-10-13-24-23-16-15-22(36(4,5)6)18-27(23)35-28(24)25/h7-19H,1-6H3.
What are the key properties of [6-(6-tert-butyl-1-phenylimidazo[4,5-b]pyridin-2-yl)dibenzofuran-3-yl]-trimethylsilane?
[6-(6-tert-butyl-1-phenylimidazo[4,5-b]pyridin-2-yl)dibenzofuran-3-yl]-trimethylsilane has a molecular weight of 489.70 g/mol, XLogP of 7.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(6-tert-butyl-1-phenylimidazo[4,5-b]pyridin-2-yl)dibenzofuran-3-yl]-trimethylsilane is sourced from PubChem (CID 164826115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).