[6-(3H-dibenzofuran-3-id-2-yl)-3-pyridinyl]-trimethylgermane;iridium;2-phenyl-8-(1-phenylbenzimidazol-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide

C₅₀H₃₆GeIrN₄OS-2 — CID 156670700

About [6-(3H-dibenzofuran-3-id-2-yl)-3-pyridinyl]-trimethylgermane;iridium;2-phenyl-8-(1-phenylbenzimidazol-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide

[6-(3H-dibenzofuran-3-id-2-yl)-3-pyridinyl]-trimethylgermane;iridium;2-phenyl-8-(1-phenylbenzimidazol-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide (PubChem CID 156670700) has the molecular formula C₅₀H₃₆GeIrN₄OS-2 and a molecular weight of 1005.76 g/mol. Its IUPAC name is [6-(3H-dibenzofuran-3-id-2-yl)-3-pyridinyl]-trimethylgermane;iridium;2-phenyl-8-(1-phenylbenzimidazol-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide.

Molecular Properties

• Compound Name: [6-(3H-dibenzofuran-3-id-2-yl)-3-pyridinyl]-trimethylgermane;iridium;2-phenyl-8-(1-phenylbenzimidazol-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide
• PubChem CID: 156670700
• Molecular Formula: C₅₀H₃₆GeIrN₄OS-2
• Molecular Weight: 1005.76 g/mol
• Exact Mass: 1007.15
• IUPAC Name: [6-(3H-dibenzofuran-3-id-2-yl)-3-pyridinyl]-trimethylgermane;iridium;2-phenyl-8-(1-phenylbenzimidazol-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide
• SMILES: C[Ge](C)(C)c1ccc(-c2[c-]cc3oc4ccccc4c3c2)nc1.[Ir].[c-]1ccc2c(sc3nc(-c4ccccc4)ccc32)c1-c1nc2ccccc2n1-c1ccccc1
• InChI: InChI=1S/C30H18N3S.C20H18GeNO.Ir/c1-3-10-20(11-4-1)25-19-18-23-22-14-9-15-24(28(22)34-30(23)32-25)29-31-26-16-7-8-17-27(26)33(29)21-12-5-2-6-13-21;1-21(2,3)15-9-10-18(22-13-15)14-8-11-20-17(12-14)16-6-4-5-7-19(16)23-20;/h1-14,16-19H;4-7,9-13H,1-3H3;/q2*-1
• InChIKey: OMYRODMPRCLEIQ-UHFFFAOYSA-N
• XLogP: 12.91
• TPSA: 56.74 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1005.76
LogP ≤ 5	12.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [6-(3H-dibenzofuran-3-id-2-yl)-3-pyridinyl]-trimethylgermane;iridium;2-phenyl-8-(1-phenylbenzimidazol-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide?

The IUPAC name of [6-(3H-dibenzofuran-3-id-2-yl)-3-pyridinyl]-trimethylgermane;iridium;2-phenyl-8-(1-phenylbenzimidazol-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide (CID 156670700) is [6-(3H-dibenzofuran-3-id-2-yl)-3-pyridinyl]-trimethylgermane;iridium;2-phenyl-8-(1-phenylbenzimidazol-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide.

What is the SMILES notation for [6-(3H-dibenzofuran-3-id-2-yl)-3-pyridinyl]-trimethylgermane;iridium;2-phenyl-8-(1-phenylbenzimidazol-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide?

The canonical SMILES for [6-(3H-dibenzofuran-3-id-2-yl)-3-pyridinyl]-trimethylgermane;iridium;2-phenyl-8-(1-phenylbenzimidazol-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide is C[Ge](C)(C)c1ccc(-c2[c-]cc3oc4ccccc4c3c2)nc1.[Ir].[c-]1ccc2c(sc3nc(-c4ccccc4)ccc32)c1-c1nc2ccccc2n1-c1ccccc1.

What is the InChIKey of [6-(3H-dibenzofuran-3-id-2-yl)-3-pyridinyl]-trimethylgermane;iridium;2-phenyl-8-(1-phenylbenzimidazol-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide?

The InChIKey is OMYRODMPRCLEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H18N3S.C20H18GeNO.Ir/c1-3-10-20(11-4-1)25-19-18-23-22-14-9-15-24(28(22)34-30(23)32-25)29-31-26-16-7-8-17-27(26)33(29)21-12-5-2-6-13-21;1-21(2,3)15-9-10-18(22-13-15)14-8-11-20-17(12-14)16-6-4-5-7-19(16)23-20;/h1-14,16-19H;4-7,9-13H,1-3H3;/q2*-1;.

What are the key properties of [6-(3H-dibenzofuran-3-id-2-yl)-3-pyridinyl]-trimethylgermane;iridium;2-phenyl-8-(1-phenylbenzimidazol-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide?

[6-(3H-dibenzofuran-3-id-2-yl)-3-pyridinyl]-trimethylgermane;iridium;2-phenyl-8-(1-phenylbenzimidazol-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide has a molecular weight of 1005.76 g/mol, XLogP of 12.91, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [6-(3H-dibenzofuran-3-id-2-yl)-3-pyridinyl]-trimethylgermane;iridium;2-phenyl-8-(1-phenylbenzimidazol-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide is sourced from PubChem (CID 156670700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 156670700 — identifiers, structure, computed properties (public domain)

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