iridium;2-[7-(2-methylphenyl)-3H-dibenzofuran-3-id-4-yl]-4-propan-2-ylpyridine;trimethyl-[6-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane

C48H44GeIrN2O-2 — CID 166577814

About iridium;2-[7-(2-methylphenyl)-3H-dibenzofuran-3-id-4-yl]-4-propan-2-ylpyridine;trimethyl-[6-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane

iridium;2-[7-(2-methylphenyl)-3H-dibenzofuran-3-id-4-yl]-4-propan-2-ylpyridine;trimethyl-[6-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane (PubChem CID 166577814) has the molecular formula C48H44GeIrN2O-2 and a molecular weight of 932.74 g/mol. Its IUPAC name is iridium;2-[7-(2-methylphenyl)-3H-dibenzofuran-3-id-4-yl]-4-propan-2-ylpyridine;trimethyl-[6-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane.

Molecular Properties

• Compound Name: iridium;2-[7-(2-methylphenyl)-3H-dibenzofuran-3-id-4-yl]-4-propan-2-ylpyridine;trimethyl-[6-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane
• PubChem CID: 166577814
• Molecular Formula: C48H44GeIrN2O-2
• Molecular Weight: 932.74 g/mol
• Exact Mass: 934.25
• IUPAC Name: iridium;2-[7-(2-methylphenyl)-3H-dibenzofuran-3-id-4-yl]-4-propan-2-ylpyridine;trimethyl-[6-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane
• SMILES: Cc1ccccc1-c1ccc2c(c1)oc1c(-c3cc(C(C)C)ccn3)[c-]ccc12.[2H]C([2H])([2H])c1c[c-]c(-c2ccc([Ge](C)(C)C)cn2)cc1-c1ccccc1.[Ir]
• InChI: InChI=1S/C27H22NO.C21H22GeN.Ir/c1-17(2)19-13-14-28-25(15-19)24-10-6-9-23-22-12-11-20(16-26(22)29-27(23)24)21-8-5-4-7-18(21)3;1-16-10-11-18(14-20(16)17-8-6-5-7-9-17)21-13-12-19(15-23-21)22(2,3)4;/h4-9,11-17H,1-3H3;5-10,12-15H,1-4H3;/q2*-1;/i;1D3
• InChIKey: WGDUABIVBMADJU-ICMJTWPQSA-N
• XLogP: 12.61
• TPSA: 38.92 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	932.74
LogP ≤ 5	12.61
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 iridium;2-[7-(2-methylphenyl)-3H-dibenzofuran-3-id-4-yl]-4-propan-2-ylpyridine;trimethyl-[6-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane?

The IUPAC name of iridium;2-[7-(2-methylphenyl)-3H-dibenzofuran-3-id-4-yl]-4-propan-2-ylpyridine;trimethyl-[6-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane (CID 166577814) is iridium;2-[7-(2-methylphenyl)-3H-dibenzofuran-3-id-4-yl]-4-propan-2-ylpyridine;trimethyl-[6-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane.

What is the SMILES notation for iridium;2-[7-(2-methylphenyl)-3H-dibenzofuran-3-id-4-yl]-4-propan-2-ylpyridine;trimethyl-[6-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane?

The canonical SMILES for iridium;2-[7-(2-methylphenyl)-3H-dibenzofuran-3-id-4-yl]-4-propan-2-ylpyridine;trimethyl-[6-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane is Cc1ccccc1-c1ccc2c(c1)oc1c(-c3cc(C(C)C)ccn3)[c-]ccc12.[2H]C([2H])([2H])c1c[c-]c(-c2ccc([Ge](C)(C)C)cn2)cc1-c1ccccc1.[Ir].

What is the InChIKey of iridium;2-[7-(2-methylphenyl)-3H-dibenzofuran-3-id-4-yl]-4-propan-2-ylpyridine;trimethyl-[6-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane?

The InChIKey is WGDUABIVBMADJU-ICMJTWPQSA-N. The full InChI is InChI=1S/C27H22NO.C21H22GeN.Ir/c1-17(2)19-13-14-28-25(15-19)24-10-6-9-23-22-12-11-20(16-26(22)29-27(23)24)21-8-5-4-7-18(21)3;1-16-10-11-18(14-20(16)17-8-6-5-7-9-17)21-13-12-19(15-23-21)22(2,3)4;/h4-9,11-17H,1-3H3;5-10,12-15H,1-4H3;/q2*-1;/i;1D3;.

What are the key properties of iridium;2-[7-(2-methylphenyl)-3H-dibenzofuran-3-id-4-yl]-4-propan-2-ylpyridine;trimethyl-[6-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane?

iridium;2-[7-(2-methylphenyl)-3H-dibenzofuran-3-id-4-yl]-4-propan-2-ylpyridine;trimethyl-[6-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane has a molecular weight of 932.74 g/mol, XLogP of 12.61, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for iridium;2-[7-(2-methylphenyl)-3H-dibenzofuran-3-id-4-yl]-4-propan-2-ylpyridine;trimethyl-[6-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane is sourced from PubChem (CID 166577814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).