[4-(2,6-dimethylphenyl)-6-phenyl-3-pyridinyl]-trimethylsilane;8-[3-[2,6-di(propan-2-yl)phenyl]-6-methylimidazo[4,5-c]pyridin-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium

C53H50F3IrN5OSi-2 — CID 156669607

IUPAC[4-(2,6-dimethylphenyl)-6-phenyl-3-pyridinyl]-trimethylsilane;8-[3-[2,6-di(propan-2-yl)phenyl]-6-methylimidazo[4,5-c]pyridin-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium
SMILESCc1cc2nc(-c3[c-]ccc4c3oc3nc(C(F)(F)F)ccc34)n(-c3c(C(C)C)cccc3C(C)C)c2cn1.Cc1cccc(C)c1-c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.[Ir]
InChIInChI=1S/C31H26F3N4O.C22H24NSi.Ir/c1-16(2)19-8-6-9-20(17(3)4)27(19)38-25-15-35-18(5)14-24(25)36-29(38)23-11-7-10-21-22-12-13-26(31(32,33)34)37-30(22)39-28(21)23;1-16-10-9-11-17(2)22(16)19-14-20(18-12-7-6-8-13-18)23-15-21(19)24(3,4)5;/h6-10,12-17H,1-5H3;6-12,14-15H,1-5H3;/q2*-1;
InChIKeyGZVMHRBPLPTFLM-UHFFFAOYSA-N
MW1050.31 g/mol
LogP14.13
Rot. Bonds7

About [4-(2,6-dimethylphenyl)-6-phenyl-3-pyridinyl]-trimethylsilane;8-[3-[2,6-di(propan-2-yl)phenyl]-6-methylimidazo[4,5-c]pyridin-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium

[4-(2,6-dimethylphenyl)-6-phenyl-3-pyridinyl]-trimethylsilane;8-[3-[2,6-di(propan-2-yl)phenyl]-6-methylimidazo[4,5-c]pyridin-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium (PubChem CID 156669607) has the molecular formula C53H50F3IrN5OSi-2 and a molecular weight of 1050.31 g/mol. Its IUPAC name is [4-(2,6-dimethylphenyl)-6-phenyl-3-pyridinyl]-trimethylsilane;8-[3-[2,6-di(propan-2-yl)phenyl]-6-methylimidazo[4,5-c]pyridin-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium.

Molecular Properties

Compound Name[4-(2,6-dimethylphenyl)-6-phenyl-3-pyridinyl]-trimethylsilane;8-[3-[2,6-di(propan-2-yl)phenyl]-6-methylimidazo[4,5-c]pyridin-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium
PubChem CID156669607
Molecular FormulaC53H50F3IrN5OSi-2
Molecular Weight1050.31 g/mol
Exact Mass1050.34
IUPAC Name[4-(2,6-dimethylphenyl)-6-phenyl-3-pyridinyl]-trimethylsilane;8-[3-[2,6-di(propan-2-yl)phenyl]-6-methylimidazo[4,5-c]pyridin-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium
SMILESCc1cc2nc(-c3[c-]ccc4c3oc3nc(C(F)(F)F)ccc34)n(-c3c(C(C)C)cccc3C(C)C)c2cn1.Cc1cccc(C)c1-c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.[Ir]
InChIInChI=1S/C31H26F3N4O.C22H24NSi.Ir/c1-16(2)19-8-6-9-20(17(3)4)27(19)38-25-15-35-18(5)14-24(25)36-29(38)23-11-7-10-21-22-12-13-26(31(32,33)34)37-30(22)39-28(21)23;1-16-10-9-11-17(2)22(16)19-14-20(18-12-7-6-8-13-18)23-15-21(19)24(3,4)5;/h6-10,12-17H,1-5H3;6-12,14-15H,1-5H3;/q2*-1;
InChIKeyGZVMHRBPLPTFLM-UHFFFAOYSA-N
XLogP14.13
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001050.31
LogP ≤ 514.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [4-(2,6-dimethylphenyl)-6-phenyl-3-pyridinyl]-trimethylsilane;8-[3-[2,6-di(propan-2-yl)phenyl]-6-methylimidazo[4,5-c]pyridin-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium with MolForge

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Related Compounds

2,5-Difluoro-7-methyl-8-[1-methyl-3-(2-propan-2-ylphenyl)imidazol-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 153464304
8-[1-[2,6-Di(propan-2-yl)phenyl]-3-methylimidazol-3-ium-2-yl]-2-fluoro-7-methyl-[1]benzofuro[2,3-b]pyridine
CID 153464426
8-[1-[2,6-Di(propan-2-yl)phenyl]-3-methylimidazol-3-ium-2-yl]-2,4-difluoro-7-methyl-[1]benzofuro[2,3-b]pyridine
CID 153464472
2,5-Difluoro-7-methyl-8-[1-methyl-3-(2-phenylphenyl)imidazol-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 153464500
8-[1-[2,6-Di(propan-2-yl)phenyl]-3-methylimidazol-3-ium-2-yl]-2,5-difluoro-7-methyl-[1]benzofuro[2,3-b]pyridine
CID 153464594
8-[1-(2,6-Diphenylphenyl)-3-methylimidazol-3-ium-2-yl]-2-fluoro-7-methyl-[1]benzofuro[2,3-b]pyridine
CID 153464596
2,4-Difluoro-7-methyl-8-[1-methyl-3-(2-propan-2-ylphenyl)imidazol-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 153464631
2-Fluoro-7-methyl-8-[1-methyl-3-(2-propan-2-ylphenyl)imidazol-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 153464700
8-[1-(2,6-Diphenylphenyl)-3-methylimidazol-3-ium-2-yl]-2,5-difluoro-7-methyl-[1]benzofuro[2,3-b]pyridine
CID 153464811
8-[1-(2,6-Diphenylphenyl)-3-methylimidazol-3-ium-2-yl]-2,4-difluoro-7-methyl-[1]benzofuro[2,3-b]pyridine
CID 153464826
1-(2,5-diphenylphenyl)-7-fluoro-2-[8-[4-(trifluoromethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 156658793
[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;1-(2,5-diphenylphenyl)-7-fluoro-2-[8-[4-(trifluoromethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;iridium
CID 156659082

Frequently Asked Questions

What is the IUPAC name of [4-(2,6-dimethylphenyl)-6-phenyl-3-pyridinyl]-trimethylsilane;8-[3-[2,6-di(propan-2-yl)phenyl]-6-methylimidazo[4,5-c]pyridin-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium?
The IUPAC name of [4-(2,6-dimethylphenyl)-6-phenyl-3-pyridinyl]-trimethylsilane;8-[3-[2,6-di(propan-2-yl)phenyl]-6-methylimidazo[4,5-c]pyridin-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium (CID 156669607) is [4-(2,6-dimethylphenyl)-6-phenyl-3-pyridinyl]-trimethylsilane;8-[3-[2,6-di(propan-2-yl)phenyl]-6-methylimidazo[4,5-c]pyridin-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium.
What is the SMILES notation for [4-(2,6-dimethylphenyl)-6-phenyl-3-pyridinyl]-trimethylsilane;8-[3-[2,6-di(propan-2-yl)phenyl]-6-methylimidazo[4,5-c]pyridin-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium?
The canonical SMILES for [4-(2,6-dimethylphenyl)-6-phenyl-3-pyridinyl]-trimethylsilane;8-[3-[2,6-di(propan-2-yl)phenyl]-6-methylimidazo[4,5-c]pyridin-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium is Cc1cc2nc(-c3[c-]ccc4c3oc3nc(C(F)(F)F)ccc34)n(-c3c(C(C)C)cccc3C(C)C)c2cn1.Cc1cccc(C)c1-c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.[Ir].
What is the InChIKey of [4-(2,6-dimethylphenyl)-6-phenyl-3-pyridinyl]-trimethylsilane;8-[3-[2,6-di(propan-2-yl)phenyl]-6-methylimidazo[4,5-c]pyridin-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium?
The InChIKey is GZVMHRBPLPTFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26F3N4O.C22H24NSi.Ir/c1-16(2)19-8-6-9-20(17(3)4)27(19)38-25-15-35-18(5)14-24(25)36-29(38)23-11-7-10-21-22-12-13-26(31(32,33)34)37-30(22)39-28(21)23;1-16-10-9-11-17(2)22(16)19-14-20(18-12-7-6-8-13-18)23-15-21(19)24(3,4)5;/h6-10,12-17H,1-5H3;6-12,14-15H,1-5H3;/q2*-1;.
What are the key properties of [4-(2,6-dimethylphenyl)-6-phenyl-3-pyridinyl]-trimethylsilane;8-[3-[2,6-di(propan-2-yl)phenyl]-6-methylimidazo[4,5-c]pyridin-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium?
[4-(2,6-dimethylphenyl)-6-phenyl-3-pyridinyl]-trimethylsilane;8-[3-[2,6-di(propan-2-yl)phenyl]-6-methylimidazo[4,5-c]pyridin-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium has a molecular weight of 1050.31 g/mol, XLogP of 14.13, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,6-dimethylphenyl)-6-phenyl-3-pyridinyl]-trimethylsilane;8-[3-[2,6-di(propan-2-yl)phenyl]-6-methylimidazo[4,5-c]pyridin-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium is sourced from PubChem (CID 156669607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).