[6-(2-fluorobenzene-6-id-1-yl)-4-(trideuteriomethyl)-3-pyridinyl]-trimethylgermane;8-(7-fluoro-1-naphthalen-2-ylbenzimidazol-2-yl)-2-[2-(trideuteriomethyl)phenyl]-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;iridium

C50H38F2GeIrN4S-2 — CID 156672371

About [6-(2-fluorobenzene-6-id-1-yl)-4-(trideuteriomethyl)-3-pyridinyl]-trimethylgermane;8-(7-fluoro-1-naphthalen-2-ylbenzimidazol-2-yl)-2-[2-(trideuteriomethyl)phenyl]-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;iridium

[6-(2-fluorobenzene-6-id-1-yl)-4-(trideuteriomethyl)-3-pyridinyl]-trimethylgermane;8-(7-fluoro-1-naphthalen-2-ylbenzimidazol-2-yl)-2-[2-(trideuteriomethyl)phenyl]-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;iridium (PubChem CID 156672371) has the molecular formula C50H38F2GeIrN4S-2 and a molecular weight of 1035.81 g/mol. Its IUPAC name is [6-(2-fluorobenzene-6-id-1-yl)-4-(trideuteriomethyl)-3-pyridinyl]-trimethylgermane;8-(7-fluoro-1-naphthalen-2-ylbenzimidazol-2-yl)-2-[2-(trideuteriomethyl)phenyl]-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;iridium.

Molecular Properties

• Compound Name: [6-(2-fluorobenzene-6-id-1-yl)-4-(trideuteriomethyl)-3-pyridinyl]-trimethylgermane;8-(7-fluoro-1-naphthalen-2-ylbenzimidazol-2-yl)-2-[2-(trideuteriomethyl)phenyl]-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;iridium
• PubChem CID: 156672371
• Molecular Formula: C50H38F2GeIrN4S-2
• Molecular Weight: 1035.81 g/mol
• Exact Mass: 1037.20
• IUPAC Name: [6-(2-fluorobenzene-6-id-1-yl)-4-(trideuteriomethyl)-3-pyridinyl]-trimethylgermane;8-(7-fluoro-1-naphthalen-2-ylbenzimidazol-2-yl)-2-[2-(trideuteriomethyl)phenyl]-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;iridium
• SMILES: [2H]C([2H])([2H])c1cc(-c2[c-]cccc2F)ncc1[Ge](C)(C)C.[2H]C([2H])([2H])c1ccccc1-c1ccc2c(n1)sc1c(-c3nc4cccc(F)c4n3-c3ccc4ccccc4c3)[c-]ccc12.[Ir]
• InChI: InChI=1S/C35H21FN3S.C15H17FGeN.Ir/c1-21-8-2-5-11-25(21)30-19-18-27-26-12-6-13-28(33(26)40-35(27)38-30)34-37-31-15-7-14-29(36)32(31)39(34)24-17-16-22-9-3-4-10-23(22)20-24;1-11-9-15(12-7-5-6-8-13(12)16)18-10-14(11)17(2,3)4;/h2-12,14-20H,1H3;5-6,8-10H,1-4H3;/q2*-1;/i2*1D3
• InChIKey: DHYYLFYTNAEQOI-CKFJQVKPSA-N
• XLogP: 13.06
• TPSA: 43.60 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1035.81
LogP ≤ 5	13.06
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 [6-(2-fluorobenzene-6-id-1-yl)-4-(trideuteriomethyl)-3-pyridinyl]-trimethylgermane;8-(7-fluoro-1-naphthalen-2-ylbenzimidazol-2-yl)-2-[2-(trideuteriomethyl)phenyl]-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;iridium?

The IUPAC name of [6-(2-fluorobenzene-6-id-1-yl)-4-(trideuteriomethyl)-3-pyridinyl]-trimethylgermane;8-(7-fluoro-1-naphthalen-2-ylbenzimidazol-2-yl)-2-[2-(trideuteriomethyl)phenyl]-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;iridium (CID 156672371) is [6-(2-fluorobenzene-6-id-1-yl)-4-(trideuteriomethyl)-3-pyridinyl]-trimethylgermane;8-(7-fluoro-1-naphthalen-2-ylbenzimidazol-2-yl)-2-[2-(trideuteriomethyl)phenyl]-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;iridium.

What is the SMILES notation for [6-(2-fluorobenzene-6-id-1-yl)-4-(trideuteriomethyl)-3-pyridinyl]-trimethylgermane;8-(7-fluoro-1-naphthalen-2-ylbenzimidazol-2-yl)-2-[2-(trideuteriomethyl)phenyl]-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;iridium?

The canonical SMILES for [6-(2-fluorobenzene-6-id-1-yl)-4-(trideuteriomethyl)-3-pyridinyl]-trimethylgermane;8-(7-fluoro-1-naphthalen-2-ylbenzimidazol-2-yl)-2-[2-(trideuteriomethyl)phenyl]-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;iridium is [2H]C([2H])([2H])c1cc(-c2[c-]cccc2F)ncc1[Ge](C)(C)C.[2H]C([2H])([2H])c1ccccc1-c1ccc2c(n1)sc1c(-c3nc4cccc(F)c4n3-c3ccc4ccccc4c3)[c-]ccc12.[Ir].

What is the InChIKey of [6-(2-fluorobenzene-6-id-1-yl)-4-(trideuteriomethyl)-3-pyridinyl]-trimethylgermane;8-(7-fluoro-1-naphthalen-2-ylbenzimidazol-2-yl)-2-[2-(trideuteriomethyl)phenyl]-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;iridium?

The InChIKey is DHYYLFYTNAEQOI-CKFJQVKPSA-N. The full InChI is InChI=1S/C35H21FN3S.C15H17FGeN.Ir/c1-21-8-2-5-11-25(21)30-19-18-27-26-12-6-13-28(33(26)40-35(27)38-30)34-37-31-15-7-14-29(36)32(31)39(34)24-17-16-22-9-3-4-10-23(22)20-24;1-11-9-15(12-7-5-6-8-13(12)16)18-10-14(11)17(2,3)4;/h2-12,14-20H,1H3;5-6,8-10H,1-4H3;/q2*-1;/i2*1D3;.

What are the key properties of [6-(2-fluorobenzene-6-id-1-yl)-4-(trideuteriomethyl)-3-pyridinyl]-trimethylgermane;8-(7-fluoro-1-naphthalen-2-ylbenzimidazol-2-yl)-2-[2-(trideuteriomethyl)phenyl]-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;iridium?

[6-(2-fluorobenzene-6-id-1-yl)-4-(trideuteriomethyl)-3-pyridinyl]-trimethylgermane;8-(7-fluoro-1-naphthalen-2-ylbenzimidazol-2-yl)-2-[2-(trideuteriomethyl)phenyl]-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;iridium has a molecular weight of 1035.81 g/mol, XLogP of 13.06, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [6-(2-fluorobenzene-6-id-1-yl)-4-(trideuteriomethyl)-3-pyridinyl]-trimethylgermane;8-(7-fluoro-1-naphthalen-2-ylbenzimidazol-2-yl)-2-[2-(trideuteriomethyl)phenyl]-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;iridium is sourced from PubChem (CID 156672371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).