8-[1-(2,6-dimethyl-4-phenylphenyl)benzimidazol-2-yl]-2-(trideuteriomethyl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;[6-(4-fluoro-3-phenylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium

C57H51FGeIrN4S-2 — CID 156668907

About 8-[1-(2,6-dimethyl-4-phenylphenyl)benzimidazol-2-yl]-2-(trideuteriomethyl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;[6-(4-fluoro-3-phenylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium

8-[1-(2,6-dimethyl-4-phenylphenyl)benzimidazol-2-yl]-2-(trideuteriomethyl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;[6-(4-fluoro-3-phenylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium (PubChem CID 156668907) has the molecular formula C57H51FGeIrN4S-2 and a molecular weight of 1110.97 g/mol. Its IUPAC name is 8-[1-(2,6-dimethyl-4-phenylphenyl)benzimidazol-2-yl]-2-(trideuteriomethyl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;[6-(4-fluoro-3-phenylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium.

Molecular Properties

• Compound Name: 8-[1-(2,6-dimethyl-4-phenylphenyl)benzimidazol-2-yl]-2-(trideuteriomethyl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;[6-(4-fluoro-3-phenylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium
• PubChem CID: 156668907
• Molecular Formula: C57H51FGeIrN4S-2
• Molecular Weight: 1110.97 g/mol
• Exact Mass: 1112.29
• IUPAC Name: 8-[1-(2,6-dimethyl-4-phenylphenyl)benzimidazol-2-yl]-2-(trideuteriomethyl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;[6-(4-fluoro-3-phenylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium
• SMILES: CC(C)Cc1cc(-c2[c-]cc(F)c(-c3ccccc3)c2)ncc1[Ge](C)(C)C.[2H]C([2H])([2H])c1ccc2c(n1)sc1c(-c3nc4ccccc4n3-c3c(C)cc(-c4ccccc4)cc3C)[c-]ccc12.[Ir]
• InChI: InChI=1S/C33H24N3S.C24H27FGeN.Ir/c1-20-18-24(23-10-5-4-6-11-23)19-21(2)30(20)36-29-15-8-7-14-28(29)35-32(36)27-13-9-12-25-26-17-16-22(3)34-33(26)37-31(25)27;1-17(2)13-20-15-24(27-16-23(20)26(3,4)5)19-11-12-22(25)21(14-19)18-9-7-6-8-10-18;/h4-12,14-19H,1-3H3;6-10,12,14-17H,13H2,1-5H3;/q2*-1;/i3D3
• InChIKey: HXTNJWJINUIQRG-RNHVAZJGSA-N
• XLogP: 14.94
• TPSA: 43.60 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1110.97
LogP ≤ 5	14.94
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 8-[1-(2,6-dimethyl-4-phenylphenyl)benzimidazol-2-yl]-2-(trideuteriomethyl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;[6-(4-fluoro-3-phenylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium?

The IUPAC name of 8-[1-(2,6-dimethyl-4-phenylphenyl)benzimidazol-2-yl]-2-(trideuteriomethyl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;[6-(4-fluoro-3-phenylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium (CID 156668907) is 8-[1-(2,6-dimethyl-4-phenylphenyl)benzimidazol-2-yl]-2-(trideuteriomethyl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;[6-(4-fluoro-3-phenylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium.

What is the SMILES notation for 8-[1-(2,6-dimethyl-4-phenylphenyl)benzimidazol-2-yl]-2-(trideuteriomethyl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;[6-(4-fluoro-3-phenylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium?

The canonical SMILES for 8-[1-(2,6-dimethyl-4-phenylphenyl)benzimidazol-2-yl]-2-(trideuteriomethyl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;[6-(4-fluoro-3-phenylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium is CC(C)Cc1cc(-c2[c-]cc(F)c(-c3ccccc3)c2)ncc1[Ge](C)(C)C.[2H]C([2H])([2H])c1ccc2c(n1)sc1c(-c3nc4ccccc4n3-c3c(C)cc(-c4ccccc4)cc3C)[c-]ccc12.[Ir].

What is the InChIKey of 8-[1-(2,6-dimethyl-4-phenylphenyl)benzimidazol-2-yl]-2-(trideuteriomethyl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;[6-(4-fluoro-3-phenylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium?

The InChIKey is HXTNJWJINUIQRG-RNHVAZJGSA-N. The full InChI is InChI=1S/C33H24N3S.C24H27FGeN.Ir/c1-20-18-24(23-10-5-4-6-11-23)19-21(2)30(20)36-29-15-8-7-14-28(29)35-32(36)27-13-9-12-25-26-17-16-22(3)34-33(26)37-31(25)27;1-17(2)13-20-15-24(27-16-23(20)26(3,4)5)19-11-12-22(25)21(14-19)18-9-7-6-8-10-18;/h4-12,14-19H,1-3H3;6-10,12,14-17H,13H2,1-5H3;/q2*-1;/i3D3;;.

What are the key properties of 8-[1-(2,6-dimethyl-4-phenylphenyl)benzimidazol-2-yl]-2-(trideuteriomethyl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;[6-(4-fluoro-3-phenylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium?

8-[1-(2,6-dimethyl-4-phenylphenyl)benzimidazol-2-yl]-2-(trideuteriomethyl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;[6-(4-fluoro-3-phenylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium has a molecular weight of 1110.97 g/mol, XLogP of 14.94, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[1-(2,6-dimethyl-4-phenylphenyl)benzimidazol-2-yl]-2-(trideuteriomethyl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;[6-(4-fluoro-3-phenylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium is sourced from PubChem (CID 156668907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).