[6-(4-tert-butyl-3-phenylimidazo[4,5-c]pyridin-2-yl)-7H-dibenzofuran-7-id-3-yl]-trimethylsilane;iridium;2-phenylpyridine

C42H38IrN4OSi-2 — CID 164824881

IUPAC[6-(4-tert-butyl-3-phenylimidazo[4,5-c]pyridin-2-yl)-7H-dibenzofuran-7-id-3-yl]-trimethylsilane;iridium;2-phenylpyridine
SMILESCC(C)(C)c1nccc2nc(-c3[c-]ccc4c3oc3cc([Si](C)(C)C)ccc34)n(-c3ccccc3)c12.[Ir].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C31H30N3OSi.C11H8N.Ir/c1-31(2,3)29-27-25(17-18-32-29)33-30(34(27)20-11-8-7-9-12-20)24-14-10-13-23-22-16-15-21(36(4,5)6)19-26(22)35-28(23)24;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h7-13,15-19H,1-6H3;1-6,8-9H;/q2*-1;
InChIKeyHXVJTHIIFLXGPJ-UHFFFAOYSA-N
MW835.10 g/mol
LogP10.18
Rot. Bonds4

About [6-(4-tert-butyl-3-phenylimidazo[4,5-c]pyridin-2-yl)-7H-dibenzofuran-7-id-3-yl]-trimethylsilane;iridium;2-phenylpyridine

[6-(4-tert-butyl-3-phenylimidazo[4,5-c]pyridin-2-yl)-7H-dibenzofuran-7-id-3-yl]-trimethylsilane;iridium;2-phenylpyridine (PubChem CID 164824881) has the molecular formula C42H38IrN4OSi-2 and a molecular weight of 835.10 g/mol. Its IUPAC name is [6-(4-tert-butyl-3-phenylimidazo[4,5-c]pyridin-2-yl)-7H-dibenzofuran-7-id-3-yl]-trimethylsilane;iridium;2-phenylpyridine.

Molecular Properties

Compound Name[6-(4-tert-butyl-3-phenylimidazo[4,5-c]pyridin-2-yl)-7H-dibenzofuran-7-id-3-yl]-trimethylsilane;iridium;2-phenylpyridine
PubChem CID164824881
Molecular FormulaC42H38IrN4OSi-2
Molecular Weight835.10 g/mol
Exact Mass835.25
IUPAC Name[6-(4-tert-butyl-3-phenylimidazo[4,5-c]pyridin-2-yl)-7H-dibenzofuran-7-id-3-yl]-trimethylsilane;iridium;2-phenylpyridine
SMILESCC(C)(C)c1nccc2nc(-c3[c-]ccc4c3oc3cc([Si](C)(C)C)ccc34)n(-c3ccccc3)c12.[Ir].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C31H30N3OSi.C11H8N.Ir/c1-31(2,3)29-27-25(17-18-32-29)33-30(34(27)20-11-8-7-9-12-20)24-14-10-13-23-22-16-15-21(36(4,5)6)19-26(22)35-28(23)24;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h7-13,15-19H,1-6H3;1-6,8-9H;/q2*-1;
InChIKeyHXVJTHIIFLXGPJ-UHFFFAOYSA-N
XLogP10.18
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500835.10
LogP ≤ 510.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

iridium;2-phenylpyridine;trimethyl-[6-(7-methyl-3-phenylimidazo[4,5-c]pyridin-2-yl)-7H-dibenzofuran-7-id-3-yl]silane
CID 164826121
iridium;2-phenylpyridine;trimethyl-[6-(7-phenylimidazo[4,5-e][1,2,4]triazin-6-yl)-7H-dibenzofuran-7-id-3-yl]silane
CID 164825208
5-tert-butyl-3-phenyl-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)imidazo[4,5-b]pyridine;iridium;2-phenylpyridine
CID 164826330
iridium;2-phenylpyridine;trimethyl-[6-(3-phenylimidazo[4,5-b]pyridin-2-yl)-7H-dibenzofuran-7-id-3-yl]germane
CID 164826362
2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-5-methyl-3-phenylimidazo[4,5-b]pyridine;iridium;2-phenylpyridine
CID 164826899
iridium;2-methyl-8-(4-methyl-3-phenylimidazo[4,5-c]pyridin-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-phenylpyridine
CID 164824741
2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-6-methyl-1-phenylimidazo[4,5-c]pyridine;iridium;2-phenylpyridine
CID 164827018
5-tert-butyl-2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-1-phenylimidazo[4,5-b]pyridine;iridium;2-phenylpyridine
CID 164825646
2-(3H-dibenzofuran-3-id-4-yl)-3,5-diphenylimidazo[4,5-b]pyridine;iridium;2-phenylpyridine
CID 164825468
2-[7-(2-deuteriopropan-2-yl)-3H-dibenzofuran-3-id-4-yl]-4-methyl-1-phenylimidazo[4,5-c]quinoline;iridium;2-phenylpyridine
CID 164827106
4-cyclopropyl-2-phenylpyridine;iridium;trimethyl-(6-pyridin-2-yl-7H-dibenzofuran-7-id-3-yl)silane
CID 155608387
iridium;5-methyl-2-phenylpyridine;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzofuran-7-id-3-yl]silane
CID 155608840

Frequently Asked Questions

What is the IUPAC name of [6-(4-tert-butyl-3-phenylimidazo[4,5-c]pyridin-2-yl)-7H-dibenzofuran-7-id-3-yl]-trimethylsilane;iridium;2-phenylpyridine?
The IUPAC name of [6-(4-tert-butyl-3-phenylimidazo[4,5-c]pyridin-2-yl)-7H-dibenzofuran-7-id-3-yl]-trimethylsilane;iridium;2-phenylpyridine (CID 164824881) is [6-(4-tert-butyl-3-phenylimidazo[4,5-c]pyridin-2-yl)-7H-dibenzofuran-7-id-3-yl]-trimethylsilane;iridium;2-phenylpyridine.
What is the SMILES notation for [6-(4-tert-butyl-3-phenylimidazo[4,5-c]pyridin-2-yl)-7H-dibenzofuran-7-id-3-yl]-trimethylsilane;iridium;2-phenylpyridine?
The canonical SMILES for [6-(4-tert-butyl-3-phenylimidazo[4,5-c]pyridin-2-yl)-7H-dibenzofuran-7-id-3-yl]-trimethylsilane;iridium;2-phenylpyridine is CC(C)(C)c1nccc2nc(-c3[c-]ccc4c3oc3cc([Si](C)(C)C)ccc34)n(-c3ccccc3)c12.[Ir].[c-]1ccccc1-c1ccccn1.
What is the InChIKey of [6-(4-tert-butyl-3-phenylimidazo[4,5-c]pyridin-2-yl)-7H-dibenzofuran-7-id-3-yl]-trimethylsilane;iridium;2-phenylpyridine?
The InChIKey is HXVJTHIIFLXGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N3OSi.C11H8N.Ir/c1-31(2,3)29-27-25(17-18-32-29)33-30(34(27)20-11-8-7-9-12-20)24-14-10-13-23-22-16-15-21(36(4,5)6)19-26(22)35-28(23)24;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h7-13,15-19H,1-6H3;1-6,8-9H;/q2*-1;.
What are the key properties of [6-(4-tert-butyl-3-phenylimidazo[4,5-c]pyridin-2-yl)-7H-dibenzofuran-7-id-3-yl]-trimethylsilane;iridium;2-phenylpyridine?
[6-(4-tert-butyl-3-phenylimidazo[4,5-c]pyridin-2-yl)-7H-dibenzofuran-7-id-3-yl]-trimethylsilane;iridium;2-phenylpyridine has a molecular weight of 835.10 g/mol, XLogP of 10.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-tert-butyl-3-phenylimidazo[4,5-c]pyridin-2-yl)-7H-dibenzofuran-7-id-3-yl]-trimethylsilane;iridium;2-phenylpyridine is sourced from PubChem (CID 164824881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).