8-[1-(2,5-diphenylphenyl)-7-fluorobenzimidazol-2-yl]-3-[4-(trideuteriomethyl)phenyl]-7H-[1]benzothiolo[2,3-c]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane

C57H43FGeIrN4S-2 — CID 156670860

About 8-[1-(2,5-diphenylphenyl)-7-fluorobenzimidazol-2-yl]-3-[4-(trideuteriomethyl)phenyl]-7H-[1]benzothiolo[2,3-c]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane

8-[1-(2,5-diphenylphenyl)-7-fluorobenzimidazol-2-yl]-3-[4-(trideuteriomethyl)phenyl]-7H-[1]benzothiolo[2,3-c]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane (PubChem CID 156670860) has the molecular formula C57H43FGeIrN4S-2 and a molecular weight of 1102.91 g/mol. Its IUPAC name is 8-[1-(2,5-diphenylphenyl)-7-fluorobenzimidazol-2-yl]-3-[4-(trideuteriomethyl)phenyl]-7H-[1]benzothiolo[2,3-c]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane.

Molecular Properties

• Compound Name: 8-[1-(2,5-diphenylphenyl)-7-fluorobenzimidazol-2-yl]-3-[4-(trideuteriomethyl)phenyl]-7H-[1]benzothiolo[2,3-c]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
• PubChem CID: 156670860
• Molecular Formula: C57H43FGeIrN4S-2
• Molecular Weight: 1102.91 g/mol
• Exact Mass: 1104.22
• IUPAC Name: 8-[1-(2,5-diphenylphenyl)-7-fluorobenzimidazol-2-yl]-3-[4-(trideuteriomethyl)phenyl]-7H-[1]benzothiolo[2,3-c]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
• SMILES: C[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.[2H]C([2H])([2H])c1ccc(-c2cc3c(cn2)sc2c(-c4nc5cccc(F)c5n4-c4cc(-c5ccccc5)ccc4-c4ccccc4)[c-]ccc23)cc1.[Ir]
• InChI: InChI=1S/C43H27FN3S.C14H16GeN.Ir/c1-27-18-20-30(21-19-27)38-25-35-33-14-8-15-34(42(33)48-40(35)26-45-38)43-46-37-17-9-16-36(44)41(37)47(43)39-24-31(28-10-4-2-5-11-28)22-23-32(39)29-12-6-3-7-13-29;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;/h2-14,16-26H,1H3;4-7,9-11H,1-3H3;/q2*-1;/i1D3
• InChIKey: AOKFEQOOAYEKJA-GXXYEPOPSA-N
• XLogP: 14.80
• TPSA: 43.60 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1102.91
LogP ≤ 5	14.80
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-(2,5-diphenylphenyl)-7-fluorobenzimidazol-2-yl]-3-[4-(trideuteriomethyl)phenyl]-7H-[1]benzothiolo[2,3-c]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane?

The IUPAC name of 8-[1-(2,5-diphenylphenyl)-7-fluorobenzimidazol-2-yl]-3-[4-(trideuteriomethyl)phenyl]-7H-[1]benzothiolo[2,3-c]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane (CID 156670860) is 8-[1-(2,5-diphenylphenyl)-7-fluorobenzimidazol-2-yl]-3-[4-(trideuteriomethyl)phenyl]-7H-[1]benzothiolo[2,3-c]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane.

What is the SMILES notation for 8-[1-(2,5-diphenylphenyl)-7-fluorobenzimidazol-2-yl]-3-[4-(trideuteriomethyl)phenyl]-7H-[1]benzothiolo[2,3-c]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane?

The canonical SMILES for 8-[1-(2,5-diphenylphenyl)-7-fluorobenzimidazol-2-yl]-3-[4-(trideuteriomethyl)phenyl]-7H-[1]benzothiolo[2,3-c]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane is C[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.[2H]C([2H])([2H])c1ccc(-c2cc3c(cn2)sc2c(-c4nc5cccc(F)c5n4-c4cc(-c5ccccc5)ccc4-c4ccccc4)[c-]ccc23)cc1.[Ir].

What is the InChIKey of 8-[1-(2,5-diphenylphenyl)-7-fluorobenzimidazol-2-yl]-3-[4-(trideuteriomethyl)phenyl]-7H-[1]benzothiolo[2,3-c]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane?

The InChIKey is AOKFEQOOAYEKJA-GXXYEPOPSA-N. The full InChI is InChI=1S/C43H27FN3S.C14H16GeN.Ir/c1-27-18-20-30(21-19-27)38-25-35-33-14-8-15-34(42(33)48-40(35)26-45-38)43-46-37-17-9-16-36(44)41(37)47(43)39-24-31(28-10-4-2-5-11-28)22-23-32(39)29-12-6-3-7-13-29;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;/h2-14,16-26H,1H3;4-7,9-11H,1-3H3;/q2*-1;/i1D3;;.

What are the key properties of 8-[1-(2,5-diphenylphenyl)-7-fluorobenzimidazol-2-yl]-3-[4-(trideuteriomethyl)phenyl]-7H-[1]benzothiolo[2,3-c]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane?

8-[1-(2,5-diphenylphenyl)-7-fluorobenzimidazol-2-yl]-3-[4-(trideuteriomethyl)phenyl]-7H-[1]benzothiolo[2,3-c]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane has a molecular weight of 1102.91 g/mol, XLogP of 14.80, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[1-(2,5-diphenylphenyl)-7-fluorobenzimidazol-2-yl]-3-[4-(trideuteriomethyl)phenyl]-7H-[1]benzothiolo[2,3-c]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane is sourced from PubChem (CID 156670860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).