2-(3H-dibenzofuran-3-id-4-yl)-1-phenylbenzimidazole;[6-(3H-dibenzothiophen-3-id-4-yl)-3-pyridinyl]-trimethylgermane;iridium

C45H33GeIrN3OS-2 — CID 156656996

About 2-(3H-dibenzofuran-3-id-4-yl)-1-phenylbenzimidazole;[6-(3H-dibenzothiophen-3-id-4-yl)-3-pyridinyl]-trimethylgermane;iridium

2-(3H-dibenzofuran-3-id-4-yl)-1-phenylbenzimidazole;[6-(3H-dibenzothiophen-3-id-4-yl)-3-pyridinyl]-trimethylgermane;iridium (PubChem CID 156656996) has the molecular formula C45H33GeIrN3OS-2 and a molecular weight of 928.67 g/mol. Its IUPAC name is 2-(3H-dibenzofuran-3-id-4-yl)-1-phenylbenzimidazole;[6-(3H-dibenzothiophen-3-id-4-yl)-3-pyridinyl]-trimethylgermane;iridium.

Molecular Properties

• Compound Name: 2-(3H-dibenzofuran-3-id-4-yl)-1-phenylbenzimidazole;[6-(3H-dibenzothiophen-3-id-4-yl)-3-pyridinyl]-trimethylgermane;iridium
• PubChem CID: 156656996
• Molecular Formula: C45H33GeIrN3OS-2
• Molecular Weight: 928.67 g/mol
• Exact Mass: 930.12
• IUPAC Name: 2-(3H-dibenzofuran-3-id-4-yl)-1-phenylbenzimidazole;[6-(3H-dibenzothiophen-3-id-4-yl)-3-pyridinyl]-trimethylgermane;iridium
• SMILES: C[Ge](C)(C)c1ccc(-c2[c-]ccc3c2sc2ccccc23)nc1.[Ir].[c-]1ccc2c(oc3ccccc32)c1-c1nc2ccccc2n1-c1ccccc1
• InChI: InChI=1S/C25H15N2O.C20H18GeNS.Ir/c1-2-9-17(10-3-1)27-22-15-6-5-14-21(22)26-25(27)20-13-8-12-19-18-11-4-7-16-23(18)28-24(19)20;1-21(2,3)14-11-12-18(22-13-14)17-9-6-8-16-15-7-4-5-10-19(15)23-20(16)17;/h1-12,14-16H;4-8,10-13H,1-3H3;/q2*-1
• InChIKey: PHLKXLNMAGTFAG-UHFFFAOYSA-N
• XLogP: 11.85
• TPSA: 43.85 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	928.67
LogP ≤ 5	11.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 2-(3H-dibenzofuran-3-id-4-yl)-1-phenylbenzimidazole;[6-(3H-dibenzothiophen-3-id-4-yl)-3-pyridinyl]-trimethylgermane;iridium (CID 156656996) is 2-(3H-dibenzofuran-3-id-4-yl)-1-phenylbenzimidazole;[6-(3H-dibenzothiophen-3-id-4-yl)-3-pyridinyl]-trimethylgermane;iridium.

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

The canonical SMILES for 2-(3H-dibenzofuran-3-id-4-yl)-1-phenylbenzimidazole;[6-(3H-dibenzothiophen-3-id-4-yl)-3-pyridinyl]-trimethylgermane;iridium is C[Ge](C)(C)c1ccc(-c2[c-]ccc3c2sc2ccccc23)nc1.[Ir].[c-]1ccc2c(oc3ccccc32)c1-c1nc2ccccc2n1-c1ccccc1.

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

The InChIKey is PHLKXLNMAGTFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15N2O.C20H18GeNS.Ir/c1-2-9-17(10-3-1)27-22-15-6-5-14-21(22)26-25(27)20-13-8-12-19-18-11-4-7-16-23(18)28-24(19)20;1-21(2,3)14-11-12-18(22-13-14)17-9-6-8-16-15-7-4-5-10-19(15)23-20(16)17;/h1-12,14-16H;4-8,10-13H,1-3H3;/q2*-1;.

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

2-(3H-dibenzofuran-3-id-4-yl)-1-phenylbenzimidazole;[6-(3H-dibenzothiophen-3-id-4-yl)-3-pyridinyl]-trimethylgermane;iridium has a molecular weight of 928.67 g/mol, XLogP of 11.85, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3H-dibenzofuran-3-id-4-yl)-1-phenylbenzimidazole;[6-(3H-dibenzothiophen-3-id-4-yl)-3-pyridinyl]-trimethylgermane;iridium is sourced from PubChem (CID 156656996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).