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

C50H42GeIrN2O2-2 — CID 166498811

About 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

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 (PubChem CID 166498811) has the molecular formula C50H42GeIrN2O2-2 and a molecular weight of 969.74 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 166498811
• Molecular Formula: C50H42GeIrN2O2-2
• Molecular Weight: 969.74 g/mol
• Exact Mass: 971.22
• IUPAC Name: 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
• SMILES: [2H]C([2H])(c1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C)C(C)C.[Ir].[c-]1ccc2c(oc3ccccc32)c1C1=Nc2ccccc2C1c1cccc2c1oc1ccccc12
• InChI: InChI=1S/C32H18NO2.C18H24GeN.Ir/c1-4-16-26-23(11-1)29(24-14-7-12-21-19-9-2-5-17-27(19)34-31(21)24)30(33-26)25-15-8-13-22-20-10-3-6-18-28(20)35-32(22)25;1-14(2)11-16-12-18(15-9-7-6-8-10-15)20-13-17(16)19(3,4)5;/h1-14,16-18,29H;6-9,12-14H,11H2,1-5H3;/q2*-1;/i;11D2
• InChIKey: WYDUGOGRWIJCJY-YXZWVCJGSA-N
• XLogP: 12.84
• TPSA: 51.53 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	969.74
LogP ≤ 5	12.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is [2H]C([2H])(c1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C)C(C)C.[Ir].[c-]1ccc2c(oc3ccccc32)c1C1=Nc2ccccc2C1c1cccc2c1oc1ccccc12.

What is the InChIKey of 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?

The InChIKey is WYDUGOGRWIJCJY-YXZWVCJGSA-N. The full InChI is InChI=1S/C32H18NO2.C18H24GeN.Ir/c1-4-16-26-23(11-1)29(24-14-7-12-21-19-9-2-5-17-27(19)34-31(21)24)30(33-26)25-15-8-13-22-20-10-3-6-18-28(20)35-32(22)25;1-14(2)11-16-12-18(15-9-7-6-8-10-15)20-13-17(16)19(3,4)5;/h1-14,16-18,29H;6-9,12-14H,11H2,1-5H3;/q2*-1;/i;11D2;.

What are the key properties of 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?

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 has a molecular weight of 969.74 g/mol, XLogP of 12.84, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 166498811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).