8-[1-(2,4-dimethyldibenzofuran-3-yl)-2H-benzimidazol-3-id-2-yl]-5-methyl-2-phenyl-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;[6-(2-fluorobenzene-6-id-1-yl)-4-(trideuteriomethyl)-3-pyridinyl]-trimethylgermane;iridium(3+)

C54H44FGeIrN4OS — CID 156667702

About 8-[1-(2,4-dimethyldibenzofuran-3-yl)-2H-benzimidazol-3-id-2-yl]-5-methyl-2-phenyl-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;[6-(2-fluorobenzene-6-id-1-yl)-4-(trideuteriomethyl)-3-pyridinyl]-trimethylgermane;iridium(3+)

8-[1-(2,4-dimethyldibenzofuran-3-yl)-2H-benzimidazol-3-id-2-yl]-5-methyl-2-phenyl-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;[6-(2-fluorobenzene-6-id-1-yl)-4-(trideuteriomethyl)-3-pyridinyl]-trimethylgermane;iridium(3+) (PubChem CID 156667702) has the molecular formula C54H44FGeIrN4OS and a molecular weight of 1083.88 g/mol. Its IUPAC name is 8-[1-(2,4-dimethyldibenzofuran-3-yl)-2H-benzimidazol-3-id-2-yl]-5-methyl-2-phenyl-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;[6-(2-fluorobenzene-6-id-1-yl)-4-(trideuteriomethyl)-3-pyridinyl]-trimethylgermane;iridium(3+).

Molecular Properties

• Compound Name: 8-[1-(2,4-dimethyldibenzofuran-3-yl)-2H-benzimidazol-3-id-2-yl]-5-methyl-2-phenyl-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;[6-(2-fluorobenzene-6-id-1-yl)-4-(trideuteriomethyl)-3-pyridinyl]-trimethylgermane;iridium(3+)
• PubChem CID: 156667702
• Molecular Formula: C54H44FGeIrN4OS
• Molecular Weight: 1083.88 g/mol
• Exact Mass: 1085.22
• IUPAC Name: 8-[1-(2,4-dimethyldibenzofuran-3-yl)-2H-benzimidazol-3-id-2-yl]-5-methyl-2-phenyl-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;[6-(2-fluorobenzene-6-id-1-yl)-4-(trideuteriomethyl)-3-pyridinyl]-trimethylgermane;iridium(3+)
• SMILES: Cc1cc2c(oc3ccccc32)c(C)c1N1c2ccccc2[N-]C1c1[c-]cc(C)c2c1sc1nc(-c3ccccc3)ccc12.[2H]C([2H])([2H])c1cc(-c2[c-]cccc2F)ncc1[Ge](C)(C)C.[Ir+3]
• InChI: InChI=1S/C39H27N3OS.C15H17FGeN.Ir/c1-22-17-18-28(37-34(22)27-19-20-30(41-39(27)44-37)25-11-5-4-6-12-25)38-40-31-14-8-9-15-32(31)42(38)35-23(2)21-29-26-13-7-10-16-33(26)43-36(29)24(35)3;1-11-9-15(12-7-5-6-8-13(12)16)18-10-14(11)17(2,3)4;/h4-17,19-21,38H,1-3H3;5-6,8-10H,1-4H3;/q-2;-1;+3/i;1D3
• InChIKey: DKRNSOQZGSQYNY-ICMJTWPQSA-N
• XLogP: 15.14
• TPSA: 56.26 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1083.88
LogP ≤ 5	15.14
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-(2,4-dimethyldibenzofuran-3-yl)-2H-benzimidazol-3-id-2-yl]-5-methyl-2-phenyl-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;[6-(2-fluorobenzene-6-id-1-yl)-4-(trideuteriomethyl)-3-pyridinyl]-trimethylgermane;iridium(3+)?

The IUPAC name of 8-[1-(2,4-dimethyldibenzofuran-3-yl)-2H-benzimidazol-3-id-2-yl]-5-methyl-2-phenyl-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;[6-(2-fluorobenzene-6-id-1-yl)-4-(trideuteriomethyl)-3-pyridinyl]-trimethylgermane;iridium(3+) (CID 156667702) is 8-[1-(2,4-dimethyldibenzofuran-3-yl)-2H-benzimidazol-3-id-2-yl]-5-methyl-2-phenyl-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;[6-(2-fluorobenzene-6-id-1-yl)-4-(trideuteriomethyl)-3-pyridinyl]-trimethylgermane;iridium(3+).

What is the SMILES notation for 8-[1-(2,4-dimethyldibenzofuran-3-yl)-2H-benzimidazol-3-id-2-yl]-5-methyl-2-phenyl-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;[6-(2-fluorobenzene-6-id-1-yl)-4-(trideuteriomethyl)-3-pyridinyl]-trimethylgermane;iridium(3+)?

The canonical SMILES for 8-[1-(2,4-dimethyldibenzofuran-3-yl)-2H-benzimidazol-3-id-2-yl]-5-methyl-2-phenyl-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;[6-(2-fluorobenzene-6-id-1-yl)-4-(trideuteriomethyl)-3-pyridinyl]-trimethylgermane;iridium(3+) is Cc1cc2c(oc3ccccc32)c(C)c1N1c2ccccc2[N-]C1c1[c-]cc(C)c2c1sc1nc(-c3ccccc3)ccc12.[2H]C([2H])([2H])c1cc(-c2[c-]cccc2F)ncc1[Ge](C)(C)C.[Ir+3].

What is the InChIKey of 8-[1-(2,4-dimethyldibenzofuran-3-yl)-2H-benzimidazol-3-id-2-yl]-5-methyl-2-phenyl-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;[6-(2-fluorobenzene-6-id-1-yl)-4-(trideuteriomethyl)-3-pyridinyl]-trimethylgermane;iridium(3+)?

The InChIKey is DKRNSOQZGSQYNY-ICMJTWPQSA-N. The full InChI is InChI=1S/C39H27N3OS.C15H17FGeN.Ir/c1-22-17-18-28(37-34(22)27-19-20-30(41-39(27)44-37)25-11-5-4-6-12-25)38-40-31-14-8-9-15-32(31)42(38)35-23(2)21-29-26-13-7-10-16-33(26)43-36(29)24(35)3;1-11-9-15(12-7-5-6-8-13(12)16)18-10-14(11)17(2,3)4;/h4-17,19-21,38H,1-3H3;5-6,8-10H,1-4H3;/q-2;-1;+3/i;1D3;.

What are the key properties of 8-[1-(2,4-dimethyldibenzofuran-3-yl)-2H-benzimidazol-3-id-2-yl]-5-methyl-2-phenyl-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;[6-(2-fluorobenzene-6-id-1-yl)-4-(trideuteriomethyl)-3-pyridinyl]-trimethylgermane;iridium(3+)?

8-[1-(2,4-dimethyldibenzofuran-3-yl)-2H-benzimidazol-3-id-2-yl]-5-methyl-2-phenyl-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;[6-(2-fluorobenzene-6-id-1-yl)-4-(trideuteriomethyl)-3-pyridinyl]-trimethylgermane;iridium(3+) has a molecular weight of 1083.88 g/mol, XLogP of 15.14, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[1-(2,4-dimethyldibenzofuran-3-yl)-2H-benzimidazol-3-id-2-yl]-5-methyl-2-phenyl-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;[6-(2-fluorobenzene-6-id-1-yl)-4-(trideuteriomethyl)-3-pyridinyl]-trimethylgermane;iridium(3+) is sourced from PubChem (CID 156667702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).