[4-(3,3-dimethylpentan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;7-(3-ethyl-4-propan-2-ylimidazo[4,5-c]pyridin-2-yl)-2-methyl-6H-[1]benzofuro[2,3-b]pyridin-6-ide;iridium

C44H51IrN5OSi-2 — CID 156670810

IUPAC[4-(3,3-dimethylpentan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;7-(3-ethyl-4-propan-2-ylimidazo[4,5-c]pyridin-2-yl)-2-methyl-6H-[1]benzofuro[2,3-b]pyridin-6-ide;iridium
SMILESCCC(C)(C)C(C)c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.CCn1c(-c2[c-]cc3c(c2)oc2nc(C)ccc23)nc2ccnc(C(C)C)c21.[Ir]
InChIInChI=1S/C23H21N4O.C21H30NSi.Ir/c1-5-27-21-18(10-11-24-20(21)13(2)3)26-22(27)15-7-9-16-17-8-6-14(4)25-23(17)28-19(16)12-15;1-8-21(3,4)16(2)18-14-19(17-12-10-9-11-13-17)22-15-20(18)23(5,6)7;/h6,8-13H,5H2,1-4H3;9-12,14-16H,8H2,1-7H3;/q2*-1;
InChIKeyRRTXLOJIBIJDIL-UHFFFAOYSA-N
MW886.23 g/mol
LogP11.28
Rot. Bonds8

About [4-(3,3-dimethylpentan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;7-(3-ethyl-4-propan-2-ylimidazo[4,5-c]pyridin-2-yl)-2-methyl-6H-[1]benzofuro[2,3-b]pyridin-6-ide;iridium

[4-(3,3-dimethylpentan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;7-(3-ethyl-4-propan-2-ylimidazo[4,5-c]pyridin-2-yl)-2-methyl-6H-[1]benzofuro[2,3-b]pyridin-6-ide;iridium (PubChem CID 156670810) has the molecular formula C44H51IrN5OSi-2 and a molecular weight of 886.23 g/mol. Its IUPAC name is [4-(3,3-dimethylpentan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;7-(3-ethyl-4-propan-2-ylimidazo[4,5-c]pyridin-2-yl)-2-methyl-6H-[1]benzofuro[2,3-b]pyridin-6-ide;iridium.

Molecular Properties

Compound Name[4-(3,3-dimethylpentan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;7-(3-ethyl-4-propan-2-ylimidazo[4,5-c]pyridin-2-yl)-2-methyl-6H-[1]benzofuro[2,3-b]pyridin-6-ide;iridium
PubChem CID156670810
Molecular FormulaC44H51IrN5OSi-2
Molecular Weight886.23 g/mol
Exact Mass886.35
IUPAC Name[4-(3,3-dimethylpentan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;7-(3-ethyl-4-propan-2-ylimidazo[4,5-c]pyridin-2-yl)-2-methyl-6H-[1]benzofuro[2,3-b]pyridin-6-ide;iridium
SMILESCCC(C)(C)C(C)c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.CCn1c(-c2[c-]cc3c(c2)oc2nc(C)ccc23)nc2ccnc(C(C)C)c21.[Ir]
InChIInChI=1S/C23H21N4O.C21H30NSi.Ir/c1-5-27-21-18(10-11-24-20(21)13(2)3)26-22(27)15-7-9-16-17-8-6-14(4)25-23(17)28-19(16)12-15;1-8-21(3,4)16(2)18-14-19(17-12-10-9-11-13-17)22-15-20(18)23(5,6)7;/h6,8-13H,5H2,1-4H3;9-12,14-16H,8H2,1-7H3;/q2*-1;
InChIKeyRRTXLOJIBIJDIL-UHFFFAOYSA-N
XLogP11.28
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500886.23
LogP ≤ 511.28
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'}

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Related Compounds

[4-(3,3-dimethylpentan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;8-(3-ethyl-4-propan-2-ylimidazo[4,5-c]pyridin-2-yl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium
CID 156667578
[4-tert-butyl-6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-3-pyridinyl]-trimethylsilane;1-(1,1-dideuterio-2-methylpropyl)-2-phenylbenzimidazole;iridium
CID 170531721
2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;[4-(3,3-dimethylpentan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
CID 156660679
6-[4-(2,2-dimethylpropyl)-5-methyl-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 155612502
8-(4-tert-butyl-2-pyridinyl)-2,5-dimethyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane
CID 155611716
iridium;2-methyl-6-[5-methyl-4-(2-methylpropyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 155611681
iridium;trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-4-(2-methylpropyl)-3-pyridinyl]silane;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 140719874
iridium;2-phenylpyridine;trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-4-phenyl-3-pyridinyl]silane
CID 162498244
iridium;8-[4-(3-methylpentan-3-yl)-2-pyridinyl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane
CID 155610573
[4-(2-deuteriopropan-2-yl)-6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;iridium;2-methyl-7-[1-[[4-phenyl-2,6-di(propan-2-yl)phenyl]methyl]benzimidazol-2-yl]-6H-[1]benzofuro[2,3-b]pyridin-6-ide
CID 156668192
iridium;2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 155610911
6-(1-tert-butylbenzimidazol-2-yl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 156672335

Frequently Asked Questions

What is the IUPAC name of [4-(3,3-dimethylpentan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;7-(3-ethyl-4-propan-2-ylimidazo[4,5-c]pyridin-2-yl)-2-methyl-6H-[1]benzofuro[2,3-b]pyridin-6-ide;iridium?
The IUPAC name of [4-(3,3-dimethylpentan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;7-(3-ethyl-4-propan-2-ylimidazo[4,5-c]pyridin-2-yl)-2-methyl-6H-[1]benzofuro[2,3-b]pyridin-6-ide;iridium (CID 156670810) is [4-(3,3-dimethylpentan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;7-(3-ethyl-4-propan-2-ylimidazo[4,5-c]pyridin-2-yl)-2-methyl-6H-[1]benzofuro[2,3-b]pyridin-6-ide;iridium.
What is the SMILES notation for [4-(3,3-dimethylpentan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;7-(3-ethyl-4-propan-2-ylimidazo[4,5-c]pyridin-2-yl)-2-methyl-6H-[1]benzofuro[2,3-b]pyridin-6-ide;iridium?
The canonical SMILES for [4-(3,3-dimethylpentan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;7-(3-ethyl-4-propan-2-ylimidazo[4,5-c]pyridin-2-yl)-2-methyl-6H-[1]benzofuro[2,3-b]pyridin-6-ide;iridium is CCC(C)(C)C(C)c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.CCn1c(-c2[c-]cc3c(c2)oc2nc(C)ccc23)nc2ccnc(C(C)C)c21.[Ir].
What is the InChIKey of [4-(3,3-dimethylpentan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;7-(3-ethyl-4-propan-2-ylimidazo[4,5-c]pyridin-2-yl)-2-methyl-6H-[1]benzofuro[2,3-b]pyridin-6-ide;iridium?
The InChIKey is RRTXLOJIBIJDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N4O.C21H30NSi.Ir/c1-5-27-21-18(10-11-24-20(21)13(2)3)26-22(27)15-7-9-16-17-8-6-14(4)25-23(17)28-19(16)12-15;1-8-21(3,4)16(2)18-14-19(17-12-10-9-11-13-17)22-15-20(18)23(5,6)7;/h6,8-13H,5H2,1-4H3;9-12,14-16H,8H2,1-7H3;/q2*-1;.
What are the key properties of [4-(3,3-dimethylpentan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;7-(3-ethyl-4-propan-2-ylimidazo[4,5-c]pyridin-2-yl)-2-methyl-6H-[1]benzofuro[2,3-b]pyridin-6-ide;iridium?
[4-(3,3-dimethylpentan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;7-(3-ethyl-4-propan-2-ylimidazo[4,5-c]pyridin-2-yl)-2-methyl-6H-[1]benzofuro[2,3-b]pyridin-6-ide;iridium has a molecular weight of 886.23 g/mol, XLogP of 11.28, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,3-dimethylpentan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;7-(3-ethyl-4-propan-2-ylimidazo[4,5-c]pyridin-2-yl)-2-methyl-6H-[1]benzofuro[2,3-b]pyridin-6-ide;iridium is sourced from PubChem (CID 156670810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).