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

C52H48IrN2OSi-2 — CID 166499342

IUPAC2-(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
SMILES[2H]C([2H])([2H])c1c[c-]c(-c2cc(C([2H])([2H])C(C)(C)C)c([Si](C)(C)C)cn2)cc1.[Ir].[c-]1ccc2c(oc3ccccc32)c1C1=Nc2ccccc2C1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C32H20NO.C20H28NSi.Ir/c1-2-9-21(10-3-1)22-17-19-23(20-18-22)30-26-12-4-6-15-28(26)33-31(30)27-14-8-13-25-24-11-5-7-16-29(24)34-32(25)27;1-15-8-10-16(11-9-15)18-12-17(13-20(2,3)4)19(14-21-18)22(5,6)7;/h1-13,15-20,30H;8-10,12,14H,13H2,1-7H3;/q2*-1;/i;1D3,13D2;
InChIKeyOSPOBDPPDVBJEU-MFXDLXTISA-N
MW942.30 g/mol
LogP13.31
Rot. Bonds7

About 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

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 (PubChem CID 166499342) has the molecular formula C52H48IrN2OSi-2 and a molecular weight of 942.30 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID166499342
Molecular FormulaC52H48IrN2OSi-2
Molecular Weight942.30 g/mol
Exact Mass942.35
IUPAC Name2-(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
SMILES[2H]C([2H])([2H])c1c[c-]c(-c2cc(C([2H])([2H])C(C)(C)C)c([Si](C)(C)C)cn2)cc1.[Ir].[c-]1ccc2c(oc3ccccc32)c1C1=Nc2ccccc2C1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C32H20NO.C20H28NSi.Ir/c1-2-9-21(10-3-1)22-17-19-23(20-18-22)30-26-12-4-6-15-28(26)33-31(30)27-14-8-13-25-24-11-5-7-16-29(24)34-32(25)27;1-15-8-10-16(11-9-15)18-12-17(13-20(2,3)4)19(14-21-18)22(5,6)7;/h1-13,15-20,30H;8-10,12,14H,13H2,1-7H3;/q2*-1;/i;1D3,13D2;
InChIKeyOSPOBDPPDVBJEU-MFXDLXTISA-N
XLogP13.31
TPSA38.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500942.30
LogP ≤ 513.31
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-(4-phenylphenyl)-3H-indole;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;iridium with MolForge

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Related Compounds

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
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-phenyl-3H-indole;[4-(2-ethyl-2-methylbutyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
CID 166499399
2-(3H-dibenzofuran-3-id-4-yl)-3-phenyl-3H-indole;[4-(2-ethylbutyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
CID 166499078
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
2-(3H-dibenzofuran-3-id-2-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;iridium
CID 156659500
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)-5-methylpyridine;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]silane
CID 156686699
4-(1,1-dideuterio-2,2-dimethylpropyl)-2-[6-[3-(3-phenylphenyl)phenyl]-3H-dibenzofuran-3-id-4-yl]-5-(trideuteriomethyl)pyridine;iridium;5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine
CID 156624458
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
2-(3H-dibenzofuran-3-id-4-yl)-1-(2,6-diphenylphenyl)benzimidazole;[4-(1,1-dideuterio-2-methylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;iridium
CID 156659415
4-benzyl-2-(3H-dibenzofuran-3-id-4-yl)pyridine;[4-benzyl-6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium
CID 162709677

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [2H]C([2H])([2H])c1c[c-]c(-c2cc(C([2H])([2H])C(C)(C)C)c([Si](C)(C)C)cn2)cc1.[Ir].[c-]1ccc2c(oc3ccccc32)c1C1=Nc2ccccc2C1c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 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?
The InChIKey is OSPOBDPPDVBJEU-MFXDLXTISA-N. The full InChI is InChI=1S/C32H20NO.C20H28NSi.Ir/c1-2-9-21(10-3-1)22-17-19-23(20-18-22)30-26-12-4-6-15-28(26)33-31(30)27-14-8-13-25-24-11-5-7-16-29(24)34-32(25)27;1-15-8-10-16(11-9-15)18-12-17(13-20(2,3)4)19(14-21-18)22(5,6)7;/h1-13,15-20,30H;8-10,12,14H,13H2,1-7H3;/q2*-1;/i;1D3,13D2;.
What are the key properties of 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?
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 has a molecular weight of 942.30 g/mol, XLogP of 13.31, 7 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-(4-phenylphenyl)-3H-indole;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;iridium is sourced from PubChem (CID 166499342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).