[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;2-(3H-dibenzofuran-3-id-4-yl)-1-ethylbenzimidazole;iridium

C38H37GeIrN3O-2 — CID 156660370

About [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;2-(3H-dibenzofuran-3-id-4-yl)-1-ethylbenzimidazole;iridium

[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;2-(3H-dibenzofuran-3-id-4-yl)-1-ethylbenzimidazole;iridium (PubChem CID 156660370) has the molecular formula C38H37GeIrN3O-2 and a molecular weight of 817.57 g/mol. Its IUPAC name is [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;2-(3H-dibenzofuran-3-id-4-yl)-1-ethylbenzimidazole;iridium.

Molecular Properties

• Compound Name: [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;2-(3H-dibenzofuran-3-id-4-yl)-1-ethylbenzimidazole;iridium
• PubChem CID: 156660370
• Molecular Formula: C38H37GeIrN3O-2
• Molecular Weight: 817.57 g/mol
• Exact Mass: 819.19
• IUPAC Name: [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;2-(3H-dibenzofuran-3-id-4-yl)-1-ethylbenzimidazole;iridium
• SMILES: CCn1c(-c2[c-]ccc3c2oc2ccccc23)nc2ccccc21.[2H]C(C)(C)c1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.[Ir]
• InChI: InChI=1S/C21H15N2O.C17H22GeN.Ir/c1-2-23-18-12-5-4-11-17(18)22-21(23)16-10-7-9-15-14-8-3-6-13-19(14)24-20(15)16;1-13(2)15-11-17(14-9-7-6-8-10-14)19-12-16(15)18(3,4)5;/h3-9,11-13H,2H2,1H3;6-9,11-13H,1-5H3;/q2*-1;/i;13D
• InChIKey: CLWIBPFXCLUGCD-LTBAMTPYSA-N
• XLogP: 9.64
• TPSA: 43.85 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	817.57
LogP ≤ 5	9.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;2-(3H-dibenzofuran-3-id-4-yl)-1-ethylbenzimidazole;iridium?

The IUPAC name of [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;2-(3H-dibenzofuran-3-id-4-yl)-1-ethylbenzimidazole;iridium (CID 156660370) is [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;2-(3H-dibenzofuran-3-id-4-yl)-1-ethylbenzimidazole;iridium.

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

The canonical SMILES for [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;2-(3H-dibenzofuran-3-id-4-yl)-1-ethylbenzimidazole;iridium is CCn1c(-c2[c-]ccc3c2oc2ccccc23)nc2ccccc21.[2H]C(C)(C)c1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.[Ir].

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

The InChIKey is CLWIBPFXCLUGCD-LTBAMTPYSA-N. The full InChI is InChI=1S/C21H15N2O.C17H22GeN.Ir/c1-2-23-18-12-5-4-11-17(18)22-21(23)16-10-7-9-15-14-8-3-6-13-19(14)24-20(15)16;1-13(2)15-11-17(14-9-7-6-8-10-14)19-12-16(15)18(3,4)5;/h3-9,11-13H,2H2,1H3;6-9,11-13H,1-5H3;/q2*-1;/i;13D;.

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

[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;2-(3H-dibenzofuran-3-id-4-yl)-1-ethylbenzimidazole;iridium has a molecular weight of 817.57 g/mol, XLogP of 9.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;2-(3H-dibenzofuran-3-id-4-yl)-1-ethylbenzimidazole;iridium is sourced from PubChem (CID 156660370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).