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

C48H44GeIrN2O-2 — CID 166578394

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

iridium;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-4-propan-2-ylpyridine;trimethyl-[4-methyl-6-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane (PubChem CID 166578394) has the molecular formula C48H44GeIrN2O-2 and a molecular weight of 932.74 g/mol. Its IUPAC name is iridium;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-4-propan-2-ylpyridine;trimethyl-[4-methyl-6-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane.

Molecular Properties

• Compound Name: iridium;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-4-propan-2-ylpyridine;trimethyl-[4-methyl-6-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane
• PubChem CID: 166578394
• Molecular Formula: C48H44GeIrN2O-2
• Molecular Weight: 932.74 g/mol
• Exact Mass: 934.25
• IUPAC Name: iridium;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-4-propan-2-ylpyridine;trimethyl-[4-methyl-6-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane
• SMILES: CC(C)c1ccnc(-c2[c-]ccc3c2oc2cc(-c4ccccc4)ccc23)c1.[2H]C([2H])([2H])c1c[c-]c(-c2cc(C)c([Ge](C)(C)C)cn2)cc1-c1ccccc1.[Ir]
• InChI: InChI=1S/C26H20NO.C22H24GeN.Ir/c1-17(2)19-13-14-27-24(15-19)23-10-6-9-22-21-12-11-20(16-25(21)28-26(22)23)18-7-4-3-5-8-18;1-16-11-12-19(14-20(16)18-9-7-6-8-10-18)22-13-17(2)21(15-24-22)23(3,4)5;/h3-9,11-17H,1-2H3;6-11,13-15H,1-5H3;/q2*-1;/i;1D3
• InChIKey: VEFZBNVMZCNMMZ-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-phenyl-3H-dibenzofuran-3-id-4-yl)-4-propan-2-ylpyridine;trimethyl-[4-methyl-6-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane?

The IUPAC name of iridium;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-4-propan-2-ylpyridine;trimethyl-[4-methyl-6-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane (CID 166578394) is iridium;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-4-propan-2-ylpyridine;trimethyl-[4-methyl-6-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane.

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

The canonical SMILES for iridium;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-4-propan-2-ylpyridine;trimethyl-[4-methyl-6-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane is CC(C)c1ccnc(-c2[c-]ccc3c2oc2cc(-c4ccccc4)ccc23)c1.[2H]C([2H])([2H])c1c[c-]c(-c2cc(C)c([Ge](C)(C)C)cn2)cc1-c1ccccc1.[Ir].

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

The InChIKey is VEFZBNVMZCNMMZ-ICMJTWPQSA-N. The full InChI is InChI=1S/C26H20NO.C22H24GeN.Ir/c1-17(2)19-13-14-27-24(15-19)23-10-6-9-22-21-12-11-20(16-25(21)28-26(22)23)18-7-4-3-5-8-18;1-16-11-12-19(14-20(16)18-9-7-6-8-10-18)22-13-17(2)21(15-24-22)23(3,4)5;/h3-9,11-17H,1-2H3;6-11,13-15H,1-5H3;/q2*-1;/i;1D3;.

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

iridium;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-4-propan-2-ylpyridine;trimethyl-[4-methyl-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-phenyl-3H-dibenzofuran-3-id-4-yl)-4-propan-2-ylpyridine;trimethyl-[4-methyl-6-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane is sourced from PubChem (CID 166578394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).