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;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]silane

C46H44F3IrN5OSi-2 — CID 156670380

IUPAC8-[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;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]silane
SMILESCc1c[c-]c(-c2ccc([Si](C)(C)C)cn2)cc1.Cc1cc2nc(-c3[c-]ccc4c3oc3nc(C(F)(F)F)ccc34)n(-c3c(C(C)C)cccc3C(C)C)c2cn1.[Ir]
InChIInChI=1S/C31H26F3N4O.C15H18NSi.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;1-12-5-7-13(8-6-12)15-10-9-14(11-16-15)17(2,3)4;/h6-10,12-17H,1-5H3;5-7,9-11H,1-4H3;/q2*-1;
InChIKeyKUIYQPZSUQLYJT-UHFFFAOYSA-N
MW960.19 g/mol
LogP12.16
Rot. Bonds6

About 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;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]silane

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;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]silane (PubChem CID 156670380) has the molecular formula C46H44F3IrN5OSi-2 and a molecular weight of 960.19 g/mol. Its IUPAC name is 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;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]silane.

Molecular Properties

Compound Name8-[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;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]silane
PubChem CID156670380
Molecular FormulaC46H44F3IrN5OSi-2
Molecular Weight960.19 g/mol
Exact Mass960.29
IUPAC Name8-[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;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]silane
SMILESCc1c[c-]c(-c2ccc([Si](C)(C)C)cn2)cc1.Cc1cc2nc(-c3[c-]ccc4c3oc3nc(C(F)(F)F)ccc34)n(-c3c(C(C)C)cccc3C(C)C)c2cn1.[Ir]
InChIInChI=1S/C31H26F3N4O.C15H18NSi.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;1-12-5-7-13(8-6-12)15-10-9-14(11-16-15)17(2,3)4;/h6-10,12-17H,1-5H3;5-7,9-11H,1-4H3;/q2*-1;
InChIKeyKUIYQPZSUQLYJT-UHFFFAOYSA-N
XLogP12.16
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500960.19
LogP ≤ 512.16
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 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;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]silane with MolForge

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Related Compounds

[2-Benzyl-4-[4-[[3-(5-methylfuran-2-yl)imidazo[4,5-b]pyridin-2-yl]amino]piperidin-1-yl]piperidin-1-yl]-[3,5-bis(trifluoromethyl)phenyl]methanone
CID 18687537
8-[1-(2,6-Diphenylphenyl)-3-methylimidazol-3-ium-2-yl]-2,5-difluoro-7-methyl-[1]benzofuro[2,3-b]pyridine
CID 153464811
[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
1-[2,6-di(propan-2-yl)phenyl]-2-[7-(trifluoromethyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 156659744
iridium;8-(1-methylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 156667415
8-(1-benzylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
CID 156667464
iridium;8-(1-propan-2-ylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 156667733
8-[1-[3-[2,6-di(propan-2-yl)phenyl]propyl]benzo[e]benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-4-propan-2-yl-3-pyridinyl]-trimethylsilane;iridium
CID 156667762
iridium;8-[1-(10-propan-2-ylphenanthren-9-yl)benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
CID 156667872
8-(1-benzylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 156667891
iridium;8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
CID 156668055
8-[3-[2,6-di(propan-2-yl)phenyl]-7-propan-2-ylimidazo[4,5-c]pyridin-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]germane
CID 156668062

Frequently Asked Questions

What is the IUPAC name of 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;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]silane?
The IUPAC name of 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;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]silane (CID 156670380) is 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;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]silane.
What is the SMILES notation for 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;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]silane?
The canonical SMILES for 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;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]silane is Cc1c[c-]c(-c2ccc([Si](C)(C)C)cn2)cc1.Cc1cc2nc(-c3[c-]ccc4c3oc3nc(C(F)(F)F)ccc34)n(-c3c(C(C)C)cccc3C(C)C)c2cn1.[Ir].
What is the InChIKey of 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;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]silane?
The InChIKey is KUIYQPZSUQLYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26F3N4O.C15H18NSi.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;1-12-5-7-13(8-6-12)15-10-9-14(11-16-15)17(2,3)4;/h6-10,12-17H,1-5H3;5-7,9-11H,1-4H3;/q2*-1;.
What are the key properties of 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;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]silane?
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;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]silane has a molecular weight of 960.19 g/mol, XLogP of 12.16, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]silane is sourced from PubChem (CID 156670380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).