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

C43H42GeIrN2O-2 — CID 166578157

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

iridium;2-(8-phenyl-6-propan-2-yl-2H-dibenzofuran-2-id-3-yl)-4-propan-2-ylpyridine;trimethyl-(6-phenyl-3-pyridinyl)germane (PubChem CID 166578157) has the molecular formula C43H42GeIrN2O-2 and a molecular weight of 867.65 g/mol. Its IUPAC name is iridium;2-(8-phenyl-6-propan-2-yl-2H-dibenzofuran-2-id-3-yl)-4-propan-2-ylpyridine;trimethyl-(6-phenyl-3-pyridinyl)germane.

Molecular Properties

• Compound Name: iridium;2-(8-phenyl-6-propan-2-yl-2H-dibenzofuran-2-id-3-yl)-4-propan-2-ylpyridine;trimethyl-(6-phenyl-3-pyridinyl)germane
• PubChem CID: 166578157
• Molecular Formula: C43H42GeIrN2O-2
• Molecular Weight: 867.65 g/mol
• Exact Mass: 869.21
• IUPAC Name: iridium;2-(8-phenyl-6-propan-2-yl-2H-dibenzofuran-2-id-3-yl)-4-propan-2-ylpyridine;trimethyl-(6-phenyl-3-pyridinyl)germane
• SMILES: CC(C)c1ccnc(-c2[c-]cc3c(c2)oc2c(C(C)C)cc(-c4ccccc4)cc23)c1.C[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.[Ir]
• InChI: InChI=1S/C29H26NO.C14H16GeN.Ir/c1-18(2)21-12-13-30-27(16-21)22-10-11-24-26-15-23(20-8-6-5-7-9-20)14-25(19(3)4)29(26)31-28(24)17-22;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;/h5-9,11-19H,1-4H3;4-7,9-11H,1-3H3;/q2*-1
• InChIKey: ZVIQKIDGHDJAEP-UHFFFAOYSA-N
• XLogP: 11.45
• TPSA: 38.92 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	867.65
LogP ≤ 5	11.45
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-6-propan-2-yl-2H-dibenzofuran-2-id-3-yl)-4-propan-2-ylpyridine;trimethyl-(6-phenyl-3-pyridinyl)germane?

The IUPAC name of iridium;2-(8-phenyl-6-propan-2-yl-2H-dibenzofuran-2-id-3-yl)-4-propan-2-ylpyridine;trimethyl-(6-phenyl-3-pyridinyl)germane (CID 166578157) is iridium;2-(8-phenyl-6-propan-2-yl-2H-dibenzofuran-2-id-3-yl)-4-propan-2-ylpyridine;trimethyl-(6-phenyl-3-pyridinyl)germane.

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

The canonical SMILES for iridium;2-(8-phenyl-6-propan-2-yl-2H-dibenzofuran-2-id-3-yl)-4-propan-2-ylpyridine;trimethyl-(6-phenyl-3-pyridinyl)germane is CC(C)c1ccnc(-c2[c-]cc3c(c2)oc2c(C(C)C)cc(-c4ccccc4)cc23)c1.C[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.[Ir].

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

The InChIKey is ZVIQKIDGHDJAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26NO.C14H16GeN.Ir/c1-18(2)21-12-13-30-27(16-21)22-10-11-24-26-15-23(20-8-6-5-7-9-20)14-25(19(3)4)29(26)31-28(24)17-22;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;/h5-9,11-19H,1-4H3;4-7,9-11H,1-3H3;/q2*-1;.

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

iridium;2-(8-phenyl-6-propan-2-yl-2H-dibenzofuran-2-id-3-yl)-4-propan-2-ylpyridine;trimethyl-(6-phenyl-3-pyridinyl)germane has a molecular weight of 867.65 g/mol, XLogP of 11.45, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for iridium;2-(8-phenyl-6-propan-2-yl-2H-dibenzofuran-2-id-3-yl)-4-propan-2-ylpyridine;trimethyl-(6-phenyl-3-pyridinyl)germane is sourced from PubChem (CID 166578157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).