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

C31H31N3OSi — CID 164825170

IUPAC[6-(6-tert-butyl-1-phenylimidazo[4,5-c]pyridin-2-yl)dibenzofuran-3-yl]-trimethylsilane
SMILESCC(C)(C)c1cc2c(cn1)nc(-c1cccc3c1oc1cc([Si](C)(C)C)ccc13)n2-c1ccccc1
InChIInChI=1S/C31H31N3OSi/c1-31(2,3)28-18-26-25(19-32-28)33-30(34(26)20-11-8-7-9-12-20)24-14-10-13-23-22-16-15-21(36(4,5)6)17-27(22)35-29(23)24/h7-19H,1-6H3
InChIKeyQAPHPQDROXIWJG-UHFFFAOYSA-N
MW489.70 g/mol
LogP7.83
Rot. Bonds3

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

[6-(6-tert-butyl-1-phenylimidazo[4,5-c]pyridin-2-yl)dibenzofuran-3-yl]-trimethylsilane (PubChem CID 164825170) 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-c]pyridin-2-yl)dibenzofuran-3-yl]-trimethylsilane.

Molecular Properties

Compound Name[6-(6-tert-butyl-1-phenylimidazo[4,5-c]pyridin-2-yl)dibenzofuran-3-yl]-trimethylsilane
PubChem CID164825170
Molecular FormulaC31H31N3OSi
Molecular Weight489.70 g/mol
Exact Mass489.22
IUPAC Name[6-(6-tert-butyl-1-phenylimidazo[4,5-c]pyridin-2-yl)dibenzofuran-3-yl]-trimethylsilane
SMILESCC(C)(C)c1cc2c(cn1)nc(-c1cccc3c1oc1cc([Si](C)(C)C)ccc13)n2-c1ccccc1
InChIInChI=1S/C31H31N3OSi/c1-31(2,3)28-18-26-25(19-32-28)33-30(34(26)20-11-8-7-9-12-20)24-14-10-13-23-22-16-15-21(36(4,5)6)17-27(22)35-29(23)24/h7-19H,1-6H3
InChIKeyQAPHPQDROXIWJG-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-(6-tert-butyl-3-phenylimidazo[4,5-c]pyridin-2-yl)dibenzofuran-3-yl]-trimethylsilane
CID 164826811
[6-(6-tert-butyl-1-phenylimidazo[4,5-b]pyridin-2-yl)dibenzofuran-3-yl]-trimethylsilane
CID 164826115
trimethyl-[6-(7-methyl-1-phenylimidazo[4,5-c]pyridin-2-yl)dibenzofuran-3-yl]silane
CID 164826478
2-(7-fluorodibenzofuran-4-yl)-6-methyl-1-phenylimidazo[4,5-c]pyridine
CID 164827019
6-tert-butyl-2-dibenzofuran-4-yl-1-phenylimidazo[4,5-b]pyridine
CID 164826557
[6-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]dibenzofuran-3-yl]-trimethylsilane
CID 170931382
6-tert-butyl-2-(9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)-1-phenylimidazo[4,5-c]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 164825422
7-tert-butyl-2-dibenzofuran-4-yl-3-phenylimidazo[4,5-c]pyridine
CID 164827202
6-methyl-1-phenyl-2-(7-phenyldibenzofuran-4-yl)imidazo[4,5-b]pyridine
CID 164826959
2-dibenzofuran-4-yl-3-phenylimidazo[4,5-c]pyridine
CID 156658408
4-tert-butyl-3-(4-phenylphenyl)-2-[7-(4-phenylphenyl)dibenzofuran-4-yl]imidazo[4,5-c]pyridine
CID 164826545
2-dibenzofuran-4-yl-1,6-dimethylimidazo[4,5-c]pyridine
CID 156657410

Frequently Asked Questions

What is the IUPAC name of [6-(6-tert-butyl-1-phenylimidazo[4,5-c]pyridin-2-yl)dibenzofuran-3-yl]-trimethylsilane?
The IUPAC name of [6-(6-tert-butyl-1-phenylimidazo[4,5-c]pyridin-2-yl)dibenzofuran-3-yl]-trimethylsilane (CID 164825170) is [6-(6-tert-butyl-1-phenylimidazo[4,5-c]pyridin-2-yl)dibenzofuran-3-yl]-trimethylsilane.
What is the SMILES notation for [6-(6-tert-butyl-1-phenylimidazo[4,5-c]pyridin-2-yl)dibenzofuran-3-yl]-trimethylsilane?
The canonical SMILES for [6-(6-tert-butyl-1-phenylimidazo[4,5-c]pyridin-2-yl)dibenzofuran-3-yl]-trimethylsilane is CC(C)(C)c1cc2c(cn1)nc(-c1cccc3c1oc1cc([Si](C)(C)C)ccc13)n2-c1ccccc1.
What is the InChIKey of [6-(6-tert-butyl-1-phenylimidazo[4,5-c]pyridin-2-yl)dibenzofuran-3-yl]-trimethylsilane?
The InChIKey is QAPHPQDROXIWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31N3OSi/c1-31(2,3)28-18-26-25(19-32-28)33-30(34(26)20-11-8-7-9-12-20)24-14-10-13-23-22-16-15-21(36(4,5)6)17-27(22)35-29(23)24/h7-19H,1-6H3.
What are the key properties of [6-(6-tert-butyl-1-phenylimidazo[4,5-c]pyridin-2-yl)dibenzofuran-3-yl]-trimethylsilane?
[6-(6-tert-butyl-1-phenylimidazo[4,5-c]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-c]pyridin-2-yl)dibenzofuran-3-yl]-trimethylsilane is sourced from PubChem (CID 164825170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).