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

C45H34GeIrN4OS-2 — CID 156669420

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

8-(1-dibenzothiophen-4-ylbenzimidazol-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane (PubChem CID 156669420) has the molecular formula C45H34GeIrN4OS-2 and a molecular weight of 946.71 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-[4-(trideuteriomethyl)benzene-6-id-1-yl]-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-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane
• PubChem CID: 156669420
• Molecular Formula: C45H34GeIrN4OS-2
• Molecular Weight: 946.71 g/mol
• Exact Mass: 948.15
• IUPAC Name: 8-(1-dibenzothiophen-4-ylbenzimidazol-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane
• SMILES: [2H]C([2H])([2H])c1c[c-]c(-c2ccc([Ge](C)(C)C)cn2)cc1.[Ir].[c-]1ccc2c(oc3ncccc32)c1-c1nc2ccccc2n1-c1cccc2c1sc1ccccc12
• InChI: InChI=1S/C30H16N3OS.C15H18GeN.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;1-12-5-7-13(8-6-12)15-10-9-14(11-17-15)16(2,3)4;/h1-10,12-17H;5-7,9-11H,1-4H3;/q2*-1;/i;1D3
• InChIKey: DABIINYYISKVSX-ICMJTWPQSA-N
• XLogP: 11.55
• TPSA: 56.74 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	946.71
LogP ≤ 5	11.55
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-[4-(trideuteriomethyl)benzene-6-id-1-yl]-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-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane (CID 156669420) is 8-(1-dibenzothiophen-4-ylbenzimidazol-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-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-[4-(trideuteriomethyl)benzene-6-id-1-yl]-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-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane is [2H]C([2H])([2H])c1c[c-]c(-c2ccc([Ge](C)(C)C)cn2)cc1.[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-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane?

The InChIKey is DABIINYYISKVSX-ICMJTWPQSA-N. The full InChI is InChI=1S/C30H16N3OS.C15H18GeN.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;1-12-5-7-13(8-6-12)15-10-9-14(11-17-15)16(2,3)4;/h1-10,12-17H;5-7,9-11H,1-4H3;/q2*-1;/i;1D3;.

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-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane?

8-(1-dibenzothiophen-4-ylbenzimidazol-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane has a molecular weight of 946.71 g/mol, XLogP of 11.55, 5 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-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane is sourced from PubChem (CID 156669420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).