iridium;2-(8-phenyl-3H-dibenzofuran-3-id-2-yl)-4-propan-2-ylpyridine;trimethyl-[6-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane

C47H42GeIrN2O-2 — CID 166574196

About iridium;2-(8-phenyl-3H-dibenzofuran-3-id-2-yl)-4-propan-2-ylpyridine;trimethyl-[6-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane

iridium;2-(8-phenyl-3H-dibenzofuran-3-id-2-yl)-4-propan-2-ylpyridine;trimethyl-[6-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane (PubChem CID 166574196) has the molecular formula C47H42GeIrN2O-2 and a molecular weight of 918.71 g/mol. Its IUPAC name is iridium;2-(8-phenyl-3H-dibenzofuran-3-id-2-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-(8-phenyl-3H-dibenzofuran-3-id-2-yl)-4-propan-2-ylpyridine;trimethyl-[6-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane
• PubChem CID: 166574196
• Molecular Formula: C47H42GeIrN2O-2
• Molecular Weight: 918.71 g/mol
• Exact Mass: 920.23
• IUPAC Name: iridium;2-(8-phenyl-3H-dibenzofuran-3-id-2-yl)-4-propan-2-ylpyridine;trimethyl-[6-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane
• SMILES: CC(C)c1ccnc(-c2[c-]cc3oc4ccc(-c5ccccc5)cc4c3c2)c1.[2H]C([2H])([2H])c1c[c-]c(-c2ccc([Ge](C)(C)C)cn2)cc1-c1ccccc1.[Ir]
• InChI: InChI=1S/C26H20NO.C21H22GeN.Ir/c1-17(2)19-12-13-27-24(16-19)21-9-11-26-23(15-21)22-14-20(8-10-25(22)28-26)18-6-4-3-5-7-18;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;/h3-8,10-17H,1-2H3;5-10,12-15H,1-4H3;/q2*-1;/i;1D3
• InChIKey: XMMURCHFVHHBSS-ICMJTWPQSA-N
• XLogP: 12.31
• TPSA: 38.92 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	918.71
LogP ≤ 5	12.31
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-(8-phenyl-3H-dibenzofuran-3-id-2-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-(8-phenyl-3H-dibenzofuran-3-id-2-yl)-4-propan-2-ylpyridine;trimethyl-[6-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane (CID 166574196) is iridium;2-(8-phenyl-3H-dibenzofuran-3-id-2-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-(8-phenyl-3H-dibenzofuran-3-id-2-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-(8-phenyl-3H-dibenzofuran-3-id-2-yl)-4-propan-2-ylpyridine;trimethyl-[6-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane is CC(C)c1ccnc(-c2[c-]cc3oc4ccc(-c5ccccc5)cc4c3c2)c1.[2H]C([2H])([2H])c1c[c-]c(-c2ccc([Ge](C)(C)C)cn2)cc1-c1ccccc1.[Ir].

What is the InChIKey of iridium;2-(8-phenyl-3H-dibenzofuran-3-id-2-yl)-4-propan-2-ylpyridine;trimethyl-[6-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane?

The InChIKey is XMMURCHFVHHBSS-ICMJTWPQSA-N. The full InChI is InChI=1S/C26H20NO.C21H22GeN.Ir/c1-17(2)19-12-13-27-24(16-19)21-9-11-26-23(15-21)22-14-20(8-10-25(22)28-26)18-6-4-3-5-7-18;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;/h3-8,10-17H,1-2H3;5-10,12-15H,1-4H3;/q2*-1;/i;1D3;.

What are the key properties of iridium;2-(8-phenyl-3H-dibenzofuran-3-id-2-yl)-4-propan-2-ylpyridine;trimethyl-[6-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane?

iridium;2-(8-phenyl-3H-dibenzofuran-3-id-2-yl)-4-propan-2-ylpyridine;trimethyl-[6-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane has a molecular weight of 918.71 g/mol, XLogP of 12.31, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for iridium;2-(8-phenyl-3H-dibenzofuran-3-id-2-yl)-4-propan-2-ylpyridine;trimethyl-[6-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane is sourced from PubChem (CID 166574196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).