[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;2,3-dideuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)-6-(3H-naphtho[2,3-b][1]benzofuran-3-id-4-yl)pyridine;iridium

C43H44IrN2OSi-2 — CID 176623896

IUPAC[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;2,3-dideuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)-6-(3H-naphtho[2,3-b][1]benzofuran-3-id-4-yl)pyridine;iridium
SMILES[2H]C(C)(C)c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.[2H]c1nc(-c2[c-]ccc3c2oc2cc4ccccc4cc23)cc(C([2H])([2H])C(C)(C)C)c1[2H].[Ir]
InChIInChI=1S/C26H22NO.C17H22NSi.Ir/c1-26(2,3)16-17-11-12-27-23(13-17)21-10-6-9-20-22-14-18-7-4-5-8-19(18)15-24(22)28-25(20)21;1-13(2)15-11-16(14-9-7-6-8-10-14)18-12-17(15)19(3,4)5;/h4-9,11-15H,16H2,1-3H3;6-9,11-13H,1-5H3;/q2*-1;/i11D,12D,16D2;13D;
InChIKeyYFIYPGFFYKZBOE-VGWSLZINSA-N
MW830.17 g/mol
LogP11.40
Rot. Bonds5

About [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;2,3-dideuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)-6-(3H-naphtho[2,3-b][1]benzofuran-3-id-4-yl)pyridine;iridium

[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;2,3-dideuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)-6-(3H-naphtho[2,3-b][1]benzofuran-3-id-4-yl)pyridine;iridium (PubChem CID 176623896) has the molecular formula C43H44IrN2OSi-2 and a molecular weight of 830.17 g/mol. Its IUPAC name is [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;2,3-dideuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)-6-(3H-naphtho[2,3-b][1]benzofuran-3-id-4-yl)pyridine;iridium.

Molecular Properties

Compound Name[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;2,3-dideuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)-6-(3H-naphtho[2,3-b][1]benzofuran-3-id-4-yl)pyridine;iridium
PubChem CID176623896
Molecular FormulaC43H44IrN2OSi-2
Molecular Weight830.17 g/mol
Exact Mass830.32
IUPAC Name[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;2,3-dideuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)-6-(3H-naphtho[2,3-b][1]benzofuran-3-id-4-yl)pyridine;iridium
SMILES[2H]C(C)(C)c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.[2H]c1nc(-c2[c-]ccc3c2oc2cc4ccccc4cc23)cc(C([2H])([2H])C(C)(C)C)c1[2H].[Ir]
InChIInChI=1S/C26H22NO.C17H22NSi.Ir/c1-26(2,3)16-17-11-12-27-23(13-17)21-10-6-9-20-22-14-18-7-4-5-8-19(18)15-24(22)28-25(20)21;1-13(2)15-11-16(14-9-7-6-8-10-14)18-12-17(15)19(3,4)5;/h4-9,11-15H,16H2,1-3H3;6-9,11-13H,1-5H3;/q2*-1;/i11D,12D,16D2;13D;
InChIKeyYFIYPGFFYKZBOE-VGWSLZINSA-N
XLogP11.40
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500830.17
LogP ≤ 511.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;2,3,5-trideuterio-4-(2-deuteriopropan-2-yl)-6-(3H-naphtho[2,3-b][1]benzofuran-3-id-4-yl)pyridine
CID 176623972
CID 176623920
CID 176623920
CID 176623969
CID 176623969
[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;2,5-dideuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)-6-(3H-naphtho[2,3-b][1]benzofuran-3-id-4-yl)-3-phenylpyridine;iridium
CID 176623987
4-tert-butyl-2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)pyridine;[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
CID 164711932
4-[cyclopentyl(dideuterio)methyl]-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
CID 166576585
[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;3-propan-2-yl-2-(7-propan-2-yl-3H-dibenzofuran-3-id-4-yl)benzo[e]benzimidazole
CID 156659060
[4-(2-deuteriopropan-2-yl)-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;4-(2,2-dimethylpropyl)-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium
CID 166575629
[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;5-fluoro-2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-4-(2,4,6-trimethylphenyl)pyridine;iridium
CID 164712927
[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;8-[4-(2-deuteriopropan-2-yl)-5-(trideuteriomethyl)-2-pyridinyl]-2-fluoro-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium
CID 164712902
CID 156659672
CID 156659672
CID 176583983
CID 176583983

Frequently Asked Questions

What is the IUPAC name of [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;2,3-dideuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)-6-(3H-naphtho[2,3-b][1]benzofuran-3-id-4-yl)pyridine;iridium?
The IUPAC name of [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;2,3-dideuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)-6-(3H-naphtho[2,3-b][1]benzofuran-3-id-4-yl)pyridine;iridium (CID 176623896) is [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;2,3-dideuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)-6-(3H-naphtho[2,3-b][1]benzofuran-3-id-4-yl)pyridine;iridium.
What is the SMILES notation for [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;2,3-dideuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)-6-(3H-naphtho[2,3-b][1]benzofuran-3-id-4-yl)pyridine;iridium?
The canonical SMILES for [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;2,3-dideuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)-6-(3H-naphtho[2,3-b][1]benzofuran-3-id-4-yl)pyridine;iridium is [2H]C(C)(C)c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.[2H]c1nc(-c2[c-]ccc3c2oc2cc4ccccc4cc23)cc(C([2H])([2H])C(C)(C)C)c1[2H].[Ir].
What is the InChIKey of [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;2,3-dideuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)-6-(3H-naphtho[2,3-b][1]benzofuran-3-id-4-yl)pyridine;iridium?
The InChIKey is YFIYPGFFYKZBOE-VGWSLZINSA-N. The full InChI is InChI=1S/C26H22NO.C17H22NSi.Ir/c1-26(2,3)16-17-11-12-27-23(13-17)21-10-6-9-20-22-14-18-7-4-5-8-19(18)15-24(22)28-25(20)21;1-13(2)15-11-16(14-9-7-6-8-10-14)18-12-17(15)19(3,4)5;/h4-9,11-15H,16H2,1-3H3;6-9,11-13H,1-5H3;/q2*-1;/i11D,12D,16D2;13D;.
What are the key properties of [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;2,3-dideuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)-6-(3H-naphtho[2,3-b][1]benzofuran-3-id-4-yl)pyridine;iridium?
[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;2,3-dideuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)-6-(3H-naphtho[2,3-b][1]benzofuran-3-id-4-yl)pyridine;iridium has a molecular weight of 830.17 g/mol, XLogP of 11.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;2,3-dideuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)-6-(3H-naphtho[2,3-b][1]benzofuran-3-id-4-yl)pyridine;iridium is sourced from PubChem (CID 176623896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).