iridium;4-methyl-2-(9-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane

C38H32GeIrN2O-2 — CID 166574116

About iridium;4-methyl-2-(9-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane

iridium;4-methyl-2-(9-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane (PubChem CID 166574116) has the molecular formula C38H32GeIrN2O-2 and a molecular weight of 797.51 g/mol. Its IUPAC name is iridium;4-methyl-2-(9-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane.

Molecular Properties

• Compound Name: iridium;4-methyl-2-(9-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane
• PubChem CID: 166574116
• Molecular Formula: C38H32GeIrN2O-2
• Molecular Weight: 797.51 g/mol
• Exact Mass: 799.14
• IUPAC Name: iridium;4-methyl-2-(9-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane
• SMILES: C[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.Cc1ccnc(-c2[c-]ccc3c2oc2cccc(-c4ccccc4)c23)c1.[Ir]
• InChI: InChI=1S/C24H16NO.C14H16GeN.Ir/c1-16-13-14-25-21(15-16)19-10-5-11-20-23-18(17-7-3-2-4-8-17)9-6-12-22(23)26-24(19)20;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;/h2-9,11-15H,1H3;4-7,9-11H,1-3H3;/q2*-1
• InChIKey: XJOKZLBIWIJQEW-UHFFFAOYSA-N
• XLogP: 9.52
• TPSA: 38.92 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	797.51
LogP ≤ 5	9.52
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-methyl-2-(9-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane?

The IUPAC name of iridium;4-methyl-2-(9-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane (CID 166574116) is iridium;4-methyl-2-(9-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane.

What is the SMILES notation for iridium;4-methyl-2-(9-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane?

The canonical SMILES for iridium;4-methyl-2-(9-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane is C[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.Cc1ccnc(-c2[c-]ccc3c2oc2cccc(-c4ccccc4)c23)c1.[Ir].

What is the InChIKey of iridium;4-methyl-2-(9-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane?

The InChIKey is XJOKZLBIWIJQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16NO.C14H16GeN.Ir/c1-16-13-14-25-21(15-16)19-10-5-11-20-23-18(17-7-3-2-4-8-17)9-6-12-22(23)26-24(19)20;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;/h2-9,11-15H,1H3;4-7,9-11H,1-3H3;/q2*-1;.

What are the key properties of iridium;4-methyl-2-(9-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane?

iridium;4-methyl-2-(9-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane has a molecular weight of 797.51 g/mol, XLogP of 9.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for iridium;4-methyl-2-(9-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane is sourced from PubChem (CID 166574116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).