2-(2-deuteriopropan-2-yl)-8-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium

C41H47IrN3OSi-2 — CID 176593438

IUPAC2-(2-deuteriopropan-2-yl)-8-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
SMILES[2H]C(C)(C)c1ccc2c(n1)oc1c(-c3cc(C([2H])([2H])C(C)C)ccn3)[c-]ccc12.[2H]C([2H])(c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C)C(C)C.[Ir]
InChIInChI=1S/C23H23N2O.C18H24NSi.Ir/c1-14(2)12-16-10-11-24-21(13-16)19-7-5-6-17-18-8-9-20(15(3)4)25-23(18)26-22(17)19;1-14(2)11-16-12-17(15-9-7-6-8-10-15)19-13-18(16)20(3,4)5;/h5-6,8-11,13-15H,12H2,1-4H3;6-9,12-14H,11H2,1-5H3;/q2*-1;/i12D2,15D;11D2;
InChIKeyUEYYXSVSPKOQTM-SOXPYWRUSA-N
MW823.18 g/mol
LogP10.46
Rot. Bonds8

About 2-(2-deuteriopropan-2-yl)-8-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium

2-(2-deuteriopropan-2-yl)-8-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium (PubChem CID 176593438) has the molecular formula C41H47IrN3OSi-2 and a molecular weight of 823.18 g/mol. Its IUPAC name is 2-(2-deuteriopropan-2-yl)-8-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium.

Molecular Properties

Compound Name2-(2-deuteriopropan-2-yl)-8-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
PubChem CID176593438
Molecular FormulaC41H47IrN3OSi-2
Molecular Weight823.18 g/mol
Exact Mass823.34
IUPAC Name2-(2-deuteriopropan-2-yl)-8-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
SMILES[2H]C(C)(C)c1ccc2c(n1)oc1c(-c3cc(C([2H])([2H])C(C)C)ccn3)[c-]ccc12.[2H]C([2H])(c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C)C(C)C.[Ir]
InChIInChI=1S/C23H23N2O.C18H24NSi.Ir/c1-14(2)12-16-10-11-24-21(13-16)19-7-5-6-17-18-8-9-20(15(3)4)25-23(18)26-22(17)19;1-14(2)11-16-12-17(15-9-7-6-8-10-15)19-13-18(16)20(3,4)5;/h5-6,8-11,13-15H,12H2,1-4H3;6-9,12-14H,11H2,1-5H3;/q2*-1;/i12D2,15D;11D2;
InChIKeyUEYYXSVSPKOQTM-SOXPYWRUSA-N
XLogP10.46
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500823.18
LogP ≤ 510.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2-deuteriopropan-2-yl)-8-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium with MolForge

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Related Compounds

4-(1,1-dideuterio-2-methylpropyl)-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
CID 166575258
iridium;8-[4-(3-methylbutan-2-yl)-2-pyridinyl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 155611465
8-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
CID 167331729
[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;8-[3-phenyl-4-(trideuteriomethyl)imidazo[4,5-c]pyridin-2-yl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide
CID 156670970
8-[4-(2-deuterio-3-methylbutan-2-yl)-2-pyridinyl]-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
CID 162776962
[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-4-(trideuteriomethyl)pyridine
CID 166576810
8-[4-(3-deuteriopentan-3-yl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
CID 155612333
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
8-[4-[cyclohexyl(dideuterio)methyl]-2-pyridinyl]-2-(1-deuteriocyclohexyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
CID 155611154
[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;8-[4-(2,2-dimethylpropyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium
CID 155612078
[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;[4-[6-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]-7H-dibenzothiophen-7-id-3-yl]phenyl]-trimethylgermane;iridium
CID 166574833
2-(2,6-dimethylphenyl)-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 155610932

Frequently Asked Questions

What is the IUPAC name of 2-(2-deuteriopropan-2-yl)-8-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium?
The IUPAC name of 2-(2-deuteriopropan-2-yl)-8-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium (CID 176593438) is 2-(2-deuteriopropan-2-yl)-8-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium.
What is the SMILES notation for 2-(2-deuteriopropan-2-yl)-8-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium?
The canonical SMILES for 2-(2-deuteriopropan-2-yl)-8-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium is [2H]C(C)(C)c1ccc2c(n1)oc1c(-c3cc(C([2H])([2H])C(C)C)ccn3)[c-]ccc12.[2H]C([2H])(c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C)C(C)C.[Ir].
What is the InChIKey of 2-(2-deuteriopropan-2-yl)-8-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium?
The InChIKey is UEYYXSVSPKOQTM-SOXPYWRUSA-N. The full InChI is InChI=1S/C23H23N2O.C18H24NSi.Ir/c1-14(2)12-16-10-11-24-21(13-16)19-7-5-6-17-18-8-9-20(15(3)4)25-23(18)26-22(17)19;1-14(2)11-16-12-17(15-9-7-6-8-10-15)19-13-18(16)20(3,4)5;/h5-6,8-11,13-15H,12H2,1-4H3;6-9,12-14H,11H2,1-5H3;/q2*-1;/i12D2,15D;11D2;.
What are the key properties of 2-(2-deuteriopropan-2-yl)-8-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium?
2-(2-deuteriopropan-2-yl)-8-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium has a molecular weight of 823.18 g/mol, XLogP of 10.46, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-deuteriopropan-2-yl)-8-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium is sourced from PubChem (CID 176593438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).