2-(3H-dibenzofuran-3-id-4-yl)-3-phenyl-3H-indole;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-2-(trideuteriomethyl)-3-pyridinyl]-trimethylsilane;iridium

C46H44IrN2OSi-2 — CID 166499265

IUPAC2-(3H-dibenzofuran-3-id-4-yl)-3-phenyl-3H-indole;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-2-(trideuteriomethyl)-3-pyridinyl]-trimethylsilane;iridium
SMILES[2H]C([2H])([2H])c1nc(-c2[c-]cccc2)cc(C([2H])([2H])C(C)(C)C)c1[Si](C)(C)C.[Ir].[c-]1ccc2c(oc3ccccc32)c1C1=Nc2ccccc2C1c1ccccc1
InChIInChI=1S/C26H16NO.C20H28NSi.Ir/c1-2-9-17(10-3-1)24-20-12-4-6-15-22(20)27-25(24)21-14-8-13-19-18-11-5-7-16-23(18)28-26(19)21;1-15-19(22(5,6)7)17(14-20(2,3)4)13-18(21-15)16-11-9-8-10-12-16;/h1-13,15-16,24H;8-11,13H,14H2,1-7H3;/q2*-1;/i;1D3,14D2;
InChIKeyBRBKIZWDWGGLGA-GOPXZUBQSA-N
MW866.20 g/mol
LogP11.64
Rot. Bonds6

About 2-(3H-dibenzofuran-3-id-4-yl)-3-phenyl-3H-indole;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-2-(trideuteriomethyl)-3-pyridinyl]-trimethylsilane;iridium

2-(3H-dibenzofuran-3-id-4-yl)-3-phenyl-3H-indole;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-2-(trideuteriomethyl)-3-pyridinyl]-trimethylsilane;iridium (PubChem CID 166499265) has the molecular formula C46H44IrN2OSi-2 and a molecular weight of 866.20 g/mol. Its IUPAC name is 2-(3H-dibenzofuran-3-id-4-yl)-3-phenyl-3H-indole;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-2-(trideuteriomethyl)-3-pyridinyl]-trimethylsilane;iridium.

Molecular Properties

Compound Name2-(3H-dibenzofuran-3-id-4-yl)-3-phenyl-3H-indole;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-2-(trideuteriomethyl)-3-pyridinyl]-trimethylsilane;iridium
PubChem CID166499265
Molecular FormulaC46H44IrN2OSi-2
Molecular Weight866.20 g/mol
Exact Mass866.32
IUPAC Name2-(3H-dibenzofuran-3-id-4-yl)-3-phenyl-3H-indole;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-2-(trideuteriomethyl)-3-pyridinyl]-trimethylsilane;iridium
SMILES[2H]C([2H])([2H])c1nc(-c2[c-]cccc2)cc(C([2H])([2H])C(C)(C)C)c1[Si](C)(C)C.[Ir].[c-]1ccc2c(oc3ccccc32)c1C1=Nc2ccccc2C1c1ccccc1
InChIInChI=1S/C26H16NO.C20H28NSi.Ir/c1-2-9-17(10-3-1)24-20-12-4-6-15-22(20)27-25(24)21-14-8-13-19-18-11-5-7-16-23(18)28-26(19)21;1-15-19(22(5,6)7)17(14-20(2,3)4)13-18(21-15)16-11-9-8-10-12-16;/h1-13,15-16,24H;8-11,13H,14H2,1-7H3;/q2*-1;/i;1D3,14D2;
InChIKeyBRBKIZWDWGGLGA-GOPXZUBQSA-N
XLogP11.64
TPSA38.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500866.20
LogP ≤ 511.64
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'}

Analyze 2-(3H-dibenzofuran-3-id-4-yl)-3-phenyl-3H-indole;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-2-(trideuteriomethyl)-3-pyridinyl]-trimethylsilane;iridium with MolForge

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Related Compounds

2-(3H-dibenzofuran-3-id-4-yl)-3-phenyl-3H-indole;[4-(2-ethyl-2-methylbutyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
CID 166499399
2-(3H-dibenzofuran-3-id-4-yl)-3-(4-phenylphenyl)-3H-indole;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;iridium
CID 166499342
2-(3H-dibenzofuran-3-id-4-yl)-3-phenyl-3H-indole;[4-(2-ethylbutyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
CID 166499078
3-(2-tert-butylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)-3H-indole;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;iridium
CID 166499144
2-(3H-dibenzofuran-3-id-4-yl)-3-(2,6-dimethylphenyl)-3H-indole;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium
CID 166499025
2-(3H-dibenzofuran-3-id-4-yl)-3-dibenzofuran-4-yl-3H-indole;[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium
CID 166498811
3-benzyl-2-(3H-dibenzofuran-3-id-4-yl)-3H-indole;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;iridium
CID 166499134
2-(3H-dibenzofuran-3-id-4-yl)-3-(2,6-dimethylphenyl)-3H-indole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
CID 166499292
2-(3H-dibenzofuran-3-id-4-yl)-4-(1,1-dideuterio-2,2-dimethylpropyl)-5-(trideuteriomethyl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 171730805
2-(3H-dibenzofuran-3-id-4-yl)-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-3H-indole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
CID 166499012
1-benzyl-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
CID 156658423
CID 153490160
CID 153490160

Frequently Asked Questions

What is the IUPAC name of 2-(3H-dibenzofuran-3-id-4-yl)-3-phenyl-3H-indole;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-2-(trideuteriomethyl)-3-pyridinyl]-trimethylsilane;iridium?
The IUPAC name of 2-(3H-dibenzofuran-3-id-4-yl)-3-phenyl-3H-indole;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-2-(trideuteriomethyl)-3-pyridinyl]-trimethylsilane;iridium (CID 166499265) is 2-(3H-dibenzofuran-3-id-4-yl)-3-phenyl-3H-indole;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-2-(trideuteriomethyl)-3-pyridinyl]-trimethylsilane;iridium.
What is the SMILES notation for 2-(3H-dibenzofuran-3-id-4-yl)-3-phenyl-3H-indole;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-2-(trideuteriomethyl)-3-pyridinyl]-trimethylsilane;iridium?
The canonical SMILES for 2-(3H-dibenzofuran-3-id-4-yl)-3-phenyl-3H-indole;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-2-(trideuteriomethyl)-3-pyridinyl]-trimethylsilane;iridium is [2H]C([2H])([2H])c1nc(-c2[c-]cccc2)cc(C([2H])([2H])C(C)(C)C)c1[Si](C)(C)C.[Ir].[c-]1ccc2c(oc3ccccc32)c1C1=Nc2ccccc2C1c1ccccc1.
What is the InChIKey of 2-(3H-dibenzofuran-3-id-4-yl)-3-phenyl-3H-indole;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-2-(trideuteriomethyl)-3-pyridinyl]-trimethylsilane;iridium?
The InChIKey is BRBKIZWDWGGLGA-GOPXZUBQSA-N. The full InChI is InChI=1S/C26H16NO.C20H28NSi.Ir/c1-2-9-17(10-3-1)24-20-12-4-6-15-22(20)27-25(24)21-14-8-13-19-18-11-5-7-16-23(18)28-26(19)21;1-15-19(22(5,6)7)17(14-20(2,3)4)13-18(21-15)16-11-9-8-10-12-16;/h1-13,15-16,24H;8-11,13H,14H2,1-7H3;/q2*-1;/i;1D3,14D2;.
What are the key properties of 2-(3H-dibenzofuran-3-id-4-yl)-3-phenyl-3H-indole;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-2-(trideuteriomethyl)-3-pyridinyl]-trimethylsilane;iridium?
2-(3H-dibenzofuran-3-id-4-yl)-3-phenyl-3H-indole;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-2-(trideuteriomethyl)-3-pyridinyl]-trimethylsilane;iridium has a molecular weight of 866.20 g/mol, XLogP of 11.64, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3H-dibenzofuran-3-id-4-yl)-3-phenyl-3H-indole;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-2-(trideuteriomethyl)-3-pyridinyl]-trimethylsilane;iridium is sourced from PubChem (CID 166499265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).