8-(1-dibenzothiophen-4-ylbenzimidazol-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane

C44H32GeIrN4OS-2 — CID 156667756

About 8-(1-dibenzothiophen-4-ylbenzimidazol-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane

8-(1-dibenzothiophen-4-ylbenzimidazol-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane (PubChem CID 156667756) has the molecular formula C44H32GeIrN4OS-2 and a molecular weight of 929.66 g/mol. Its IUPAC name is 8-(1-dibenzothiophen-4-ylbenzimidazol-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane.

Molecular Properties

• Compound Name: 8-(1-dibenzothiophen-4-ylbenzimidazol-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
• PubChem CID: 156667756
• Molecular Formula: C44H32GeIrN4OS-2
• Molecular Weight: 929.66 g/mol
• Exact Mass: 931.11
• IUPAC Name: 8-(1-dibenzothiophen-4-ylbenzimidazol-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
• SMILES: C[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.[Ir].[c-]1ccc2c(oc3ncccc32)c1-c1nc2ccccc2n1-c1cccc2c1sc1ccccc12
• InChI: InChI=1S/C30H16N3OS.C14H16GeN.Ir/c1-4-16-26-18(8-1)20-10-6-15-25(28(20)35-26)33-24-14-3-2-13-23(24)32-29(33)22-11-5-9-19-21-12-7-17-31-30(21)34-27(19)22;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;/h1-10,12-17H;4-7,9-11H,1-3H3;/q2*-1
• InChIKey: NWPHNZQKODLSFM-UHFFFAOYSA-N
• XLogP: 11.25
• TPSA: 56.74 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	929.66
LogP ≤ 5	11.25
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 8-(1-dibenzothiophen-4-ylbenzimidazol-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane?

The IUPAC name of 8-(1-dibenzothiophen-4-ylbenzimidazol-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane (CID 156667756) is 8-(1-dibenzothiophen-4-ylbenzimidazol-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane.

What is the SMILES notation for 8-(1-dibenzothiophen-4-ylbenzimidazol-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane?

The canonical SMILES for 8-(1-dibenzothiophen-4-ylbenzimidazol-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane is C[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.[Ir].[c-]1ccc2c(oc3ncccc32)c1-c1nc2ccccc2n1-c1cccc2c1sc1ccccc12.

What is the InChIKey of 8-(1-dibenzothiophen-4-ylbenzimidazol-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane?

The InChIKey is NWPHNZQKODLSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H16N3OS.C14H16GeN.Ir/c1-4-16-26-18(8-1)20-10-6-15-25(28(20)35-26)33-24-14-3-2-13-23(24)32-29(33)22-11-5-9-19-21-12-7-17-31-30(21)34-27(19)22;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;/h1-10,12-17H;4-7,9-11H,1-3H3;/q2*-1;.

What are the key properties of 8-(1-dibenzothiophen-4-ylbenzimidazol-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane?

8-(1-dibenzothiophen-4-ylbenzimidazol-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane has a molecular weight of 929.66 g/mol, XLogP of 11.25, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(1-dibenzothiophen-4-ylbenzimidazol-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane is sourced from PubChem (CID 156667756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).