iridium;4-(2-methylpropyl)-2-(1-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane

C42H40GeIrN2O-2 — CID 166574508

About iridium;4-(2-methylpropyl)-2-(1-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane

iridium;4-(2-methylpropyl)-2-(1-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane (PubChem CID 166574508) has the molecular formula C42H40GeIrN2O-2 and a molecular weight of 853.62 g/mol. Its IUPAC name is iridium;4-(2-methylpropyl)-2-(1-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane.

Molecular Properties

• Compound Name: iridium;4-(2-methylpropyl)-2-(1-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane
• PubChem CID: 166574508
• Molecular Formula: C42H40GeIrN2O-2
• Molecular Weight: 853.62 g/mol
• Exact Mass: 855.20
• IUPAC Name: iridium;4-(2-methylpropyl)-2-(1-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane
• SMILES: CC(C)Cc1ccnc(-c2[c-]cc(-c3ccccc3)c3c2oc2ccccc23)c1.Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.[Ir]
• InChI: InChI=1S/C27H22NO.C15H18GeN.Ir/c1-18(2)16-19-14-15-28-24(17-19)22-13-12-21(20-8-4-3-5-9-20)26-23-10-6-7-11-25(23)29-27(22)26;1-12-10-15(13-8-6-5-7-9-13)17-11-14(12)16(2,3)4;/h3-12,14-15,17-18H,16H2,1-2H3;5-8,10-11H,1-4H3;/q2*-1
• InChIKey: TXCLIOOCPOUVTO-UHFFFAOYSA-N
• XLogP: 10.71
• TPSA: 38.92 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	853.62
LogP ≤ 5	10.71
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;4-(2-methylpropyl)-2-(1-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane?

The IUPAC name of iridium;4-(2-methylpropyl)-2-(1-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane (CID 166574508) is iridium;4-(2-methylpropyl)-2-(1-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane.

What is the SMILES notation for iridium;4-(2-methylpropyl)-2-(1-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane?

The canonical SMILES for iridium;4-(2-methylpropyl)-2-(1-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane is CC(C)Cc1ccnc(-c2[c-]cc(-c3ccccc3)c3c2oc2ccccc23)c1.Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.[Ir].

What is the InChIKey of iridium;4-(2-methylpropyl)-2-(1-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane?

The InChIKey is TXCLIOOCPOUVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22NO.C15H18GeN.Ir/c1-18(2)16-19-14-15-28-24(17-19)22-13-12-21(20-8-4-3-5-9-20)26-23-10-6-7-11-25(23)29-27(22)26;1-12-10-15(13-8-6-5-7-9-13)17-11-14(12)16(2,3)4;/h3-12,14-15,17-18H,16H2,1-2H3;5-8,10-11H,1-4H3;/q2*-1;.

What are the key properties of iridium;4-(2-methylpropyl)-2-(1-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane?

iridium;4-(2-methylpropyl)-2-(1-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane has a molecular weight of 853.62 g/mol, XLogP of 10.71, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for iridium;4-(2-methylpropyl)-2-(1-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane is sourced from PubChem (CID 166574508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).