bis(iridium);methanol;3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[1-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]imidazo[4,5-c]pyridine;3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[1-(trideuteriomethyl)dibenzofuran-4-yl]imidazo[4,5-c]pyridine;trifluoromethanesulfonic acid;bis(trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane)

C107H110F3Ir2N8O7SSi2-3 — CID 157296243

About bis(iridium);methanol;3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[1-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]imidazo[4,5-c]pyridine;3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[1-(trideuteriomethyl)dibenzofuran-4-yl]imidazo[4,5-c]pyridine;trifluoromethanesulfonic acid;bis(trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane)

bis(iridium);methanol;3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[1-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]imidazo[4,5-c]pyridine;3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[1-(trideuteriomethyl)dibenzofuran-4-yl]imidazo[4,5-c]pyridine;trifluoromethanesulfonic acid;bis(trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane) (PubChem CID 157296243) has the molecular formula C107H110F3Ir2N8O7SSi2-3 and a molecular weight of 2161.85 g/mol. Its IUPAC name is bis(iridium);methanol;3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[1-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]imidazo[4,5-c]pyridine;3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[1-(trideuteriomethyl)dibenzofuran-4-yl]imidazo[4,5-c]pyridine;trifluoromethanesulfonic acid;bis(trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane).

Molecular Properties

• Compound Name: bis(iridium);methanol;3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[1-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]imidazo[4,5-c]pyridine;3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[1-(trideuteriomethyl)dibenzofuran-4-yl]imidazo[4,5-c]pyridine;trifluoromethanesulfonic acid;bis(trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane)
• PubChem CID: 157296243
• Molecular Formula: C107H110F3Ir2N8O7SSi2-3
• Molecular Weight: 2161.85 g/mol
• Exact Mass: 2161.77
• IUPAC Name: bis(iridium);methanol;3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[1-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]imidazo[4,5-c]pyridine;3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[1-(trideuteriomethyl)dibenzofuran-4-yl]imidazo[4,5-c]pyridine;trifluoromethanesulfonic acid;bis(trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane)
• SMILES: CO.CO.O=S(=O)(O)C(F)(F)F.[2H]C([2H])([2H])c1c[c-]c(-c2ccc([Si](C)(C)C)cn2)cc1.[2H]C([2H])([2H])c1c[c-]c(-c2ccc([Si](C)(C)C)cn2)cc1.[2H]C([2H])([2H])c1c[c-]c(-c2nc3ccncc3n2-c2c(C(C)C)cc(-c3ccccc3)cc2C(C)C)c2oc3ccccc3c12.[2H]C([2H])([2H])c1ccc(-c2nc3ccncc3n2-c2c(C(C)C)cc(-c3ccccc3)cc2C(C)C)c2oc3ccccc3c12.[Ir].[Ir]
• InChI: InChI=1S/C37H33N3O.C37H32N3O.2C15H18NSi.CHF3O3S.2CH4O.2Ir/c2*1-22(2)29-19-26(25-11-7-6-8-12-25)20-30(23(3)4)35(29)40-32-21-38-18-17-31(32)39-37(40)28-16-15-24(5)34-27-13-9-10-14-33(27)41-36(28)34;2*1-12-5-7-13(8-6-12)15-10-9-14(11-16-15)17(2,3)4;2-1(3,4)8(5,6)7;2*1-2;;/h6-23H,1-5H3;6-15,17-23H,1-5H3;2*5-7,9-11H,1-4H3;(H,5,6,7);2*2H,1H3;;/q;3*-1;;;;;/i2*5D3;2*1D3
• InChIKey: PQFMBUALBKOSCY-ABHMEIMOSA-N
• XLogP: 26.63
• TPSA: 208.31 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 18
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2161.85
LogP ≤ 5	26.63
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(iridium);methanol;3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[1-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]imidazo[4,5-c]pyridine;3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[1-(trideuteriomethyl)dibenzofuran-4-yl]imidazo[4,5-c]pyridine;trifluoromethanesulfonic acid;bis(trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane)?

The IUPAC name of bis(iridium);methanol;3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[1-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]imidazo[4,5-c]pyridine;3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[1-(trideuteriomethyl)dibenzofuran-4-yl]imidazo[4,5-c]pyridine;trifluoromethanesulfonic acid;bis(trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane) (CID 157296243) is bis(iridium);methanol;3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[1-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]imidazo[4,5-c]pyridine;3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[1-(trideuteriomethyl)dibenzofuran-4-yl]imidazo[4,5-c]pyridine;trifluoromethanesulfonic acid;bis(trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane).

What is the SMILES notation for bis(iridium);methanol;3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[1-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]imidazo[4,5-c]pyridine;3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[1-(trideuteriomethyl)dibenzofuran-4-yl]imidazo[4,5-c]pyridine;trifluoromethanesulfonic acid;bis(trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane)?

The canonical SMILES for bis(iridium);methanol;3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[1-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]imidazo[4,5-c]pyridine;3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[1-(trideuteriomethyl)dibenzofuran-4-yl]imidazo[4,5-c]pyridine;trifluoromethanesulfonic acid;bis(trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane) is CO.CO.O=S(=O)(O)C(F)(F)F.[2H]C([2H])([2H])c1c[c-]c(-c2ccc([Si](C)(C)C)cn2)cc1.[2H]C([2H])([2H])c1c[c-]c(-c2ccc([Si](C)(C)C)cn2)cc1.[2H]C([2H])([2H])c1c[c-]c(-c2nc3ccncc3n2-c2c(C(C)C)cc(-c3ccccc3)cc2C(C)C)c2oc3ccccc3c12.[2H]C([2H])([2H])c1ccc(-c2nc3ccncc3n2-c2c(C(C)C)cc(-c3ccccc3)cc2C(C)C)c2oc3ccccc3c12.[Ir].[Ir].

What is the InChIKey of bis(iridium);methanol;3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[1-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]imidazo[4,5-c]pyridine;3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[1-(trideuteriomethyl)dibenzofuran-4-yl]imidazo[4,5-c]pyridine;trifluoromethanesulfonic acid;bis(trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane)?

The InChIKey is PQFMBUALBKOSCY-ABHMEIMOSA-N. The full InChI is InChI=1S/C37H33N3O.C37H32N3O.2C15H18NSi.CHF3O3S.2CH4O.2Ir/c2*1-22(2)29-19-26(25-11-7-6-8-12-25)20-30(23(3)4)35(29)40-32-21-38-18-17-31(32)39-37(40)28-16-15-24(5)34-27-13-9-10-14-33(27)41-36(28)34;2*1-12-5-7-13(8-6-12)15-10-9-14(11-16-15)17(2,3)4;2-1(3,4)8(5,6)7;2*1-2;;/h6-23H,1-5H3;6-15,17-23H,1-5H3;2*5-7,9-11H,1-4H3;(H,5,6,7);2*2H,1H3;;/q;3*-1;;;;;/i2*5D3;2*1D3;;;;;.

What are the key properties of bis(iridium);methanol;3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[1-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]imidazo[4,5-c]pyridine;3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[1-(trideuteriomethyl)dibenzofuran-4-yl]imidazo[4,5-c]pyridine;trifluoromethanesulfonic acid;bis(trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane)?

bis(iridium);methanol;3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[1-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]imidazo[4,5-c]pyridine;3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[1-(trideuteriomethyl)dibenzofuran-4-yl]imidazo[4,5-c]pyridine;trifluoromethanesulfonic acid;bis(trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane) has a molecular weight of 2161.85 g/mol, XLogP of 26.63, 18 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for bis(iridium);methanol;3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[1-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]imidazo[4,5-c]pyridine;3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[1-(trideuteriomethyl)dibenzofuran-4-yl]imidazo[4,5-c]pyridine;trifluoromethanesulfonic acid;bis(trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane) is sourced from PubChem (CID 157296243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).