iridium;2-(8-phenyl-4H-dibenzofuran-4-id-3-yl)-4-propan-2-ylpyridine;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane

C41H38GeIrN2O-2 — CID 166574420

About iridium;2-(8-phenyl-4H-dibenzofuran-4-id-3-yl)-4-propan-2-ylpyridine;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane

iridium;2-(8-phenyl-4H-dibenzofuran-4-id-3-yl)-4-propan-2-ylpyridine;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane (PubChem CID 166574420) has the molecular formula C41H38GeIrN2O-2 and a molecular weight of 839.60 g/mol. Its IUPAC name is iridium;2-(8-phenyl-4H-dibenzofuran-4-id-3-yl)-4-propan-2-ylpyridine;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane.

Molecular Properties

• Compound Name: iridium;2-(8-phenyl-4H-dibenzofuran-4-id-3-yl)-4-propan-2-ylpyridine;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane
• PubChem CID: 166574420
• Molecular Formula: C41H38GeIrN2O-2
• Molecular Weight: 839.60 g/mol
• Exact Mass: 841.18
• IUPAC Name: iridium;2-(8-phenyl-4H-dibenzofuran-4-id-3-yl)-4-propan-2-ylpyridine;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane
• SMILES: CC(C)c1ccnc(-c2[c-]c3oc4ccc(-c5ccccc5)cc4c3cc2)c1.Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.[Ir]
• InChI: InChI=1S/C26H20NO.C15H18GeN.Ir/c1-17(2)19-12-13-27-24(15-19)21-8-10-22-23-14-20(18-6-4-3-5-7-18)9-11-25(23)28-26(22)16-21;1-12-10-15(13-8-6-5-7-9-13)17-11-14(12)16(2,3)4;/h3-15,17H,1-2H3;5-8,10-11H,1-4H3;/q2*-1
• InChIKey: BNVAXRSGIYHTDF-UHFFFAOYSA-N
• XLogP: 10.64
• TPSA: 38.92 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	839.60
LogP ≤ 5	10.64
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-4H-dibenzofuran-4-id-3-yl)-4-propan-2-ylpyridine;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane?

The IUPAC name of iridium;2-(8-phenyl-4H-dibenzofuran-4-id-3-yl)-4-propan-2-ylpyridine;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane (CID 166574420) is iridium;2-(8-phenyl-4H-dibenzofuran-4-id-3-yl)-4-propan-2-ylpyridine;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane.

What is the SMILES notation for iridium;2-(8-phenyl-4H-dibenzofuran-4-id-3-yl)-4-propan-2-ylpyridine;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane?

The canonical SMILES for iridium;2-(8-phenyl-4H-dibenzofuran-4-id-3-yl)-4-propan-2-ylpyridine;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane is CC(C)c1ccnc(-c2[c-]c3oc4ccc(-c5ccccc5)cc4c3cc2)c1.Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.[Ir].

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

The InChIKey is BNVAXRSGIYHTDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20NO.C15H18GeN.Ir/c1-17(2)19-12-13-27-24(15-19)21-8-10-22-23-14-20(18-6-4-3-5-7-18)9-11-25(23)28-26(22)16-21;1-12-10-15(13-8-6-5-7-9-13)17-11-14(12)16(2,3)4;/h3-15,17H,1-2H3;5-8,10-11H,1-4H3;/q2*-1;.

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

iridium;2-(8-phenyl-4H-dibenzofuran-4-id-3-yl)-4-propan-2-ylpyridine;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane has a molecular weight of 839.60 g/mol, XLogP of 10.64, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for iridium;2-(8-phenyl-4H-dibenzofuran-4-id-3-yl)-4-propan-2-ylpyridine;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane is sourced from PubChem (CID 166574420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).