2-(3H-dibenzofuran-3-id-4-yl)-1-naphthalen-1-ylbenzimidazole;iridium;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane

C44H35GeIrN3O-2 — CID 156660882

About 2-(3H-dibenzofuran-3-id-4-yl)-1-naphthalen-1-ylbenzimidazole;iridium;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane

2-(3H-dibenzofuran-3-id-4-yl)-1-naphthalen-1-ylbenzimidazole;iridium;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane (PubChem CID 156660882) has the molecular formula C44H35GeIrN3O-2 and a molecular weight of 889.63 g/mol. Its IUPAC name is 2-(3H-dibenzofuran-3-id-4-yl)-1-naphthalen-1-ylbenzimidazole;iridium;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane.

Molecular Properties

• Compound Name: 2-(3H-dibenzofuran-3-id-4-yl)-1-naphthalen-1-ylbenzimidazole;iridium;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane
• PubChem CID: 156660882
• Molecular Formula: C44H35GeIrN3O-2
• Molecular Weight: 889.63 g/mol
• Exact Mass: 891.18
• IUPAC Name: 2-(3H-dibenzofuran-3-id-4-yl)-1-naphthalen-1-ylbenzimidazole;iridium;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane
• SMILES: [2H]C([2H])([2H])c1c[c-]c(-c2ccc([Ge](C)(C)C)cn2)cc1.[Ir].[c-]1ccc2c(oc3ccccc32)c1-c1nc2ccccc2n1-c1cccc2ccccc12
• InChI: InChI=1S/C29H17N2O.C15H18GeN.Ir/c1-2-11-20-19(9-1)10-7-17-25(20)31-26-16-5-4-15-24(26)30-29(31)23-14-8-13-22-21-12-3-6-18-27(21)32-28(22)23;1-12-5-7-13(8-6-12)15-10-9-14(11-17-15)16(2,3)4;/h1-13,15-18H;5-7,9-11H,1-4H3;/q2*-1;/i;1D3
• InChIKey: TXAFZVLCFIZVMV-ICMJTWPQSA-N
• XLogP: 10.95
• TPSA: 43.85 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	889.63
LogP ≤ 5	10.95
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)-1-naphthalen-1-ylbenzimidazole;iridium;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane?

The IUPAC name of 2-(3H-dibenzofuran-3-id-4-yl)-1-naphthalen-1-ylbenzimidazole;iridium;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane (CID 156660882) is 2-(3H-dibenzofuran-3-id-4-yl)-1-naphthalen-1-ylbenzimidazole;iridium;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane.

What is the SMILES notation for 2-(3H-dibenzofuran-3-id-4-yl)-1-naphthalen-1-ylbenzimidazole;iridium;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane?

The canonical SMILES for 2-(3H-dibenzofuran-3-id-4-yl)-1-naphthalen-1-ylbenzimidazole;iridium;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane is [2H]C([2H])([2H])c1c[c-]c(-c2ccc([Ge](C)(C)C)cn2)cc1.[Ir].[c-]1ccc2c(oc3ccccc32)c1-c1nc2ccccc2n1-c1cccc2ccccc12.

What is the InChIKey of 2-(3H-dibenzofuran-3-id-4-yl)-1-naphthalen-1-ylbenzimidazole;iridium;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane?

The InChIKey is TXAFZVLCFIZVMV-ICMJTWPQSA-N. The full InChI is InChI=1S/C29H17N2O.C15H18GeN.Ir/c1-2-11-20-19(9-1)10-7-17-25(20)31-26-16-5-4-15-24(26)30-29(31)23-14-8-13-22-21-12-3-6-18-27(21)32-28(22)23;1-12-5-7-13(8-6-12)15-10-9-14(11-17-15)16(2,3)4;/h1-13,15-18H;5-7,9-11H,1-4H3;/q2*-1;/i;1D3;.

What are the key properties of 2-(3H-dibenzofuran-3-id-4-yl)-1-naphthalen-1-ylbenzimidazole;iridium;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane?

2-(3H-dibenzofuran-3-id-4-yl)-1-naphthalen-1-ylbenzimidazole;iridium;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane has a molecular weight of 889.63 g/mol, XLogP of 10.95, 5 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)-1-naphthalen-1-ylbenzimidazole;iridium;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane is sourced from PubChem (CID 156660882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).