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

C50H52GeIrN2O-2 — CID 166499144

About 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

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 (PubChem CID 166499144) has the molecular formula C50H52GeIrN2O-2 and a molecular weight of 966.84 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 166499144
• Molecular Formula: C50H52GeIrN2O-2
• Molecular Weight: 966.84 g/mol
• Exact Mass: 968.32
• IUPAC Name: 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
• SMILES: CC(C)(C)c1ccccc1C1C(c2[c-]ccc3c2oc2ccccc23)=Nc2ccccc21.[2H]C([2H])([2H])c1c[c-]c(-c2cc(C([2H])([2H])C(C)(C)C)c([Ge](C)(C)C)cn2)cc1.[Ir]
• InChI: InChI=1S/C30H24NO.C20H28GeN.Ir/c1-30(2,3)24-16-7-4-12-21(24)27-22-13-5-8-17-25(22)31-28(27)23-15-10-14-20-19-11-6-9-18-26(19)32-29(20)23;1-15-8-10-16(11-9-15)19-12-17(13-20(2,3)4)18(14-22-19)21(5,6)7;/h4-14,16-18,27H,1-3H3;8-10,12,14H,13H2,1-7H3;/q2*-1;/i;1D3,13D2
• InChIKey: BAMIRFHASJWWNM-MFXDLXTISA-N
• XLogP: 12.94
• TPSA: 38.39 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	966.84
LogP ≤ 5	12.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CC(C)(C)c1ccccc1C1C(c2[c-]ccc3c2oc2ccccc23)=Nc2ccccc21.[2H]C([2H])([2H])c1c[c-]c(-c2cc(C([2H])([2H])C(C)(C)C)c([Ge](C)(C)C)cn2)cc1.[Ir].

What is the InChIKey of 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?

The InChIKey is BAMIRFHASJWWNM-MFXDLXTISA-N. The full InChI is InChI=1S/C30H24NO.C20H28GeN.Ir/c1-30(2,3)24-16-7-4-12-21(24)27-22-13-5-8-17-25(22)31-28(27)23-15-10-14-20-19-11-6-9-18-26(19)32-29(20)23;1-15-8-10-16(11-9-15)19-12-17(13-20(2,3)4)18(14-22-19)21(5,6)7;/h4-14,16-18,27H,1-3H3;8-10,12,14H,13H2,1-7H3;/q2*-1;/i;1D3,13D2;.

What are the key properties of 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?

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 has a molecular weight of 966.84 g/mol, XLogP of 12.94, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 166499144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).