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

C47H46GeIrN2O-2 — CID 166499134

About 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

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 (PubChem CID 166499134) has the molecular formula C47H46GeIrN2O-2 and a molecular weight of 924.76 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 166499134
• Molecular Formula: C47H46GeIrN2O-2
• Molecular Weight: 924.76 g/mol
• Exact Mass: 926.28
• IUPAC Name: 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
• SMILES: [2H]C([2H])([2H])c1c[c-]c(-c2cc(C([2H])([2H])C(C)(C)C)c([Ge](C)(C)C)cn2)cc1.[Ir].[c-]1ccc2c(oc3ccccc32)c1C1=Nc2ccccc2C1Cc1ccccc1
• InChI: InChI=1S/C27H18NO.C20H28GeN.Ir/c1-2-9-18(10-3-1)17-23-19-11-4-6-15-24(19)28-26(23)22-14-8-13-21-20-12-5-7-16-25(20)29-27(21)22;1-15-8-10-16(11-9-15)19-12-17(13-20(2,3)4)18(14-22-19)21(5,6)7;/h1-13,15-16,23H,17H2;8-10,12,14H,13H2,1-7H3;/q2*-1;/i;1D3,13D2
• InChIKey: PFIBLZBOMOTGMD-MFXDLXTISA-N
• XLogP: 11.84
• TPSA: 38.39 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	924.76
LogP ≤ 5	11.84
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-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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is [2H]C([2H])([2H])c1c[c-]c(-c2cc(C([2H])([2H])C(C)(C)C)c([Ge](C)(C)C)cn2)cc1.[Ir].[c-]1ccc2c(oc3ccccc32)c1C1=Nc2ccccc2C1Cc1ccccc1.

What is the InChIKey of 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?

The InChIKey is PFIBLZBOMOTGMD-MFXDLXTISA-N. The full InChI is InChI=1S/C27H18NO.C20H28GeN.Ir/c1-2-9-18(10-3-1)17-23-19-11-4-6-15-24(19)28-26(23)22-14-8-13-21-20-12-5-7-16-25(20)29-27(21)22;1-15-8-10-16(11-9-15)19-12-17(13-20(2,3)4)18(14-22-19)21(5,6)7;/h1-13,15-16,23H,17H2;8-10,12,14H,13H2,1-7H3;/q2*-1;/i;1D3,13D2;.

What are the key properties of 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?

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 has a molecular weight of 924.76 g/mol, XLogP of 11.84, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 166499134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).