[6-(2-tert-butyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-4-methyl-3-pyridinyl]-trimethylgermane;1-[2,6-di(propan-2-yl)phenyl]-2-(7-phenyl-3H-dibenzothiophen-3-id-4-yl)benzimidazole;iridium

C61H58GeIrN4OS-2 — CID 170531868

About [6-(2-tert-butyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-4-methyl-3-pyridinyl]-trimethylgermane;1-[2,6-di(propan-2-yl)phenyl]-2-(7-phenyl-3H-dibenzothiophen-3-id-4-yl)benzimidazole;iridium

[6-(2-tert-butyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-4-methyl-3-pyridinyl]-trimethylgermane;1-[2,6-di(propan-2-yl)phenyl]-2-(7-phenyl-3H-dibenzothiophen-3-id-4-yl)benzimidazole;iridium (PubChem CID 170531868) has the molecular formula C61H58GeIrN4OS-2 and a molecular weight of 1160.06 g/mol. Its IUPAC name is [6-(2-tert-butyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-4-methyl-3-pyridinyl]-trimethylgermane;1-[2,6-di(propan-2-yl)phenyl]-2-(7-phenyl-3H-dibenzothiophen-3-id-4-yl)benzimidazole;iridium.

Molecular Properties

• Compound Name: [6-(2-tert-butyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-4-methyl-3-pyridinyl]-trimethylgermane;1-[2,6-di(propan-2-yl)phenyl]-2-(7-phenyl-3H-dibenzothiophen-3-id-4-yl)benzimidazole;iridium
• PubChem CID: 170531868
• Molecular Formula: C61H58GeIrN4OS-2
• Molecular Weight: 1160.06 g/mol
• Exact Mass: 1161.32
• IUPAC Name: [6-(2-tert-butyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-4-methyl-3-pyridinyl]-trimethylgermane;1-[2,6-di(propan-2-yl)phenyl]-2-(7-phenyl-3H-dibenzothiophen-3-id-4-yl)benzimidazole;iridium
• SMILES: CC(C)c1cccc(C(C)C)c1-n1c(-c2[c-]ccc3c2sc2cc(-c4ccccc4)ccc23)nc2ccccc21.Cc1cc(-c2[c-]ccc3c2oc2nc(C(C)(C)C)ccc23)ncc1[Ge](C)(C)C.[Ir]
• InChI: InChI=1S/C37H31N2S.C24H27GeN2O.Ir/c1-23(2)27-14-10-15-28(24(3)4)35(27)39-33-19-9-8-18-32(33)38-37(39)31-17-11-16-30-29-21-20-26(22-34(29)40-36(30)31)25-12-6-5-7-13-25;1-15-13-20(26-14-19(15)25(5,6)7)18-10-8-9-16-17-11-12-21(24(2,3)4)27-23(17)28-22(16)18;/h5-16,18-24H,1-4H3;8-9,11-14H,1-7H3;/q2*-1
• InChIKey: OMOFHPITRINVQG-UHFFFAOYSA-N
• XLogP: 16.77
• TPSA: 56.74 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1160.06
LogP ≤ 5	16.77
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-(2-tert-butyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-4-methyl-3-pyridinyl]-trimethylgermane;1-[2,6-di(propan-2-yl)phenyl]-2-(7-phenyl-3H-dibenzothiophen-3-id-4-yl)benzimidazole;iridium?

The IUPAC name of [6-(2-tert-butyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-4-methyl-3-pyridinyl]-trimethylgermane;1-[2,6-di(propan-2-yl)phenyl]-2-(7-phenyl-3H-dibenzothiophen-3-id-4-yl)benzimidazole;iridium (CID 170531868) is [6-(2-tert-butyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-4-methyl-3-pyridinyl]-trimethylgermane;1-[2,6-di(propan-2-yl)phenyl]-2-(7-phenyl-3H-dibenzothiophen-3-id-4-yl)benzimidazole;iridium.

What is the SMILES notation for [6-(2-tert-butyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-4-methyl-3-pyridinyl]-trimethylgermane;1-[2,6-di(propan-2-yl)phenyl]-2-(7-phenyl-3H-dibenzothiophen-3-id-4-yl)benzimidazole;iridium?

The canonical SMILES for [6-(2-tert-butyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-4-methyl-3-pyridinyl]-trimethylgermane;1-[2,6-di(propan-2-yl)phenyl]-2-(7-phenyl-3H-dibenzothiophen-3-id-4-yl)benzimidazole;iridium is CC(C)c1cccc(C(C)C)c1-n1c(-c2[c-]ccc3c2sc2cc(-c4ccccc4)ccc23)nc2ccccc21.Cc1cc(-c2[c-]ccc3c2oc2nc(C(C)(C)C)ccc23)ncc1[Ge](C)(C)C.[Ir].

What is the InChIKey of [6-(2-tert-butyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-4-methyl-3-pyridinyl]-trimethylgermane;1-[2,6-di(propan-2-yl)phenyl]-2-(7-phenyl-3H-dibenzothiophen-3-id-4-yl)benzimidazole;iridium?

The InChIKey is OMOFHPITRINVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H31N2S.C24H27GeN2O.Ir/c1-23(2)27-14-10-15-28(24(3)4)35(27)39-33-19-9-8-18-32(33)38-37(39)31-17-11-16-30-29-21-20-26(22-34(29)40-36(30)31)25-12-6-5-7-13-25;1-15-13-20(26-14-19(15)25(5,6)7)18-10-8-9-16-17-11-12-21(24(2,3)4)27-23(17)28-22(16)18;/h5-16,18-24H,1-4H3;8-9,11-14H,1-7H3;/q2*-1;.

What are the key properties of [6-(2-tert-butyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-4-methyl-3-pyridinyl]-trimethylgermane;1-[2,6-di(propan-2-yl)phenyl]-2-(7-phenyl-3H-dibenzothiophen-3-id-4-yl)benzimidazole;iridium?

[6-(2-tert-butyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-4-methyl-3-pyridinyl]-trimethylgermane;1-[2,6-di(propan-2-yl)phenyl]-2-(7-phenyl-3H-dibenzothiophen-3-id-4-yl)benzimidazole;iridium has a molecular weight of 1160.06 g/mol, XLogP of 16.77, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [6-(2-tert-butyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-4-methyl-3-pyridinyl]-trimethylgermane;1-[2,6-di(propan-2-yl)phenyl]-2-(7-phenyl-3H-dibenzothiophen-3-id-4-yl)benzimidazole;iridium is sourced from PubChem (CID 170531868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).