[6-(3-deuteriobenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;4-(2-deuteriopropan-2-yl)-2-(7-phenyl-3H-dibenzofuran-3-id-2-yl)-5-(trideuteriomethyl)pyridine;iridium

C41H38GeIrN2O-2 — CID 169039104

About [6-(3-deuteriobenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;4-(2-deuteriopropan-2-yl)-2-(7-phenyl-3H-dibenzofuran-3-id-2-yl)-5-(trideuteriomethyl)pyridine;iridium

[6-(3-deuteriobenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;4-(2-deuteriopropan-2-yl)-2-(7-phenyl-3H-dibenzofuran-3-id-2-yl)-5-(trideuteriomethyl)pyridine;iridium (PubChem CID 169039104) has the molecular formula C41H38GeIrN2O-2 and a molecular weight of 844.63 g/mol. Its IUPAC name is [6-(3-deuteriobenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;4-(2-deuteriopropan-2-yl)-2-(7-phenyl-3H-dibenzofuran-3-id-2-yl)-5-(trideuteriomethyl)pyridine;iridium.

Molecular Properties

• Compound Name: [6-(3-deuteriobenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;4-(2-deuteriopropan-2-yl)-2-(7-phenyl-3H-dibenzofuran-3-id-2-yl)-5-(trideuteriomethyl)pyridine;iridium
• PubChem CID: 169039104
• Molecular Formula: C41H38GeIrN2O-2
• Molecular Weight: 844.63 g/mol
• Exact Mass: 846.21
• IUPAC Name: [6-(3-deuteriobenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;4-(2-deuteriopropan-2-yl)-2-(7-phenyl-3H-dibenzofuran-3-id-2-yl)-5-(trideuteriomethyl)pyridine;iridium
• SMILES: [2H]C([2H])([2H])c1cnc(-c2[c-]cc3oc4cc(-c5ccccc5)ccc4c3c2)cc1C([2H])(C)C.[2H]c1cc[c-]c(-c2ccc([Ge](C)(C)C)cn2)c1.[Ir]
• InChI: InChI=1S/C27H22NO.C14H16GeN.Ir/c1-17(2)23-15-25(28-16-18(23)3)21-10-12-26-24(13-21)22-11-9-20(14-27(22)29-26)19-7-5-4-6-8-19;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;/h4-9,11-17H,1-3H3;4-7,9-11H,1-3H3;/q2*-1;/i3D3,17D;5D
• InChIKey: MKOHEOOCSNVZBC-GZYPEYCVSA-N
• XLogP: 10.64
• TPSA: 38.92 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	844.63
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 [6-(3-deuteriobenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;4-(2-deuteriopropan-2-yl)-2-(7-phenyl-3H-dibenzofuran-3-id-2-yl)-5-(trideuteriomethyl)pyridine;iridium?

The IUPAC name of [6-(3-deuteriobenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;4-(2-deuteriopropan-2-yl)-2-(7-phenyl-3H-dibenzofuran-3-id-2-yl)-5-(trideuteriomethyl)pyridine;iridium (CID 169039104) is [6-(3-deuteriobenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;4-(2-deuteriopropan-2-yl)-2-(7-phenyl-3H-dibenzofuran-3-id-2-yl)-5-(trideuteriomethyl)pyridine;iridium.

What is the SMILES notation for [6-(3-deuteriobenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;4-(2-deuteriopropan-2-yl)-2-(7-phenyl-3H-dibenzofuran-3-id-2-yl)-5-(trideuteriomethyl)pyridine;iridium?

The canonical SMILES for [6-(3-deuteriobenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;4-(2-deuteriopropan-2-yl)-2-(7-phenyl-3H-dibenzofuran-3-id-2-yl)-5-(trideuteriomethyl)pyridine;iridium is [2H]C([2H])([2H])c1cnc(-c2[c-]cc3oc4cc(-c5ccccc5)ccc4c3c2)cc1C([2H])(C)C.[2H]c1cc[c-]c(-c2ccc([Ge](C)(C)C)cn2)c1.[Ir].

What is the InChIKey of [6-(3-deuteriobenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;4-(2-deuteriopropan-2-yl)-2-(7-phenyl-3H-dibenzofuran-3-id-2-yl)-5-(trideuteriomethyl)pyridine;iridium?

The InChIKey is MKOHEOOCSNVZBC-GZYPEYCVSA-N. The full InChI is InChI=1S/C27H22NO.C14H16GeN.Ir/c1-17(2)23-15-25(28-16-18(23)3)21-10-12-26-24(13-21)22-11-9-20(14-27(22)29-26)19-7-5-4-6-8-19;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;/h4-9,11-17H,1-3H3;4-7,9-11H,1-3H3;/q2*-1;/i3D3,17D;5D;.

What are the key properties of [6-(3-deuteriobenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;4-(2-deuteriopropan-2-yl)-2-(7-phenyl-3H-dibenzofuran-3-id-2-yl)-5-(trideuteriomethyl)pyridine;iridium?

[6-(3-deuteriobenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;4-(2-deuteriopropan-2-yl)-2-(7-phenyl-3H-dibenzofuran-3-id-2-yl)-5-(trideuteriomethyl)pyridine;iridium has a molecular weight of 844.63 g/mol, XLogP of 10.64, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [6-(3-deuteriobenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;4-(2-deuteriopropan-2-yl)-2-(7-phenyl-3H-dibenzofuran-3-id-2-yl)-5-(trideuteriomethyl)pyridine;iridium is sourced from PubChem (CID 169039104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).