bis(iridium);methanol;2-(4-methylbenzene-6-id-1-yl)-5-(trideuteriomethyl)pyridine;5-methyl-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;2-phenyl-4-(9,9,10,10-tetramethylanthracen-2-yl)pyridine;2-phenyl-4-(9,9,10,10-tetramethylanthracen-2-yl)pyridine;5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;trifluoromethanesulfonic acid

C100H98F3Ir2N5O5S-4 — CID 159677144

About bis(iridium);methanol;2-(4-methylbenzene-6-id-1-yl)-5-(trideuteriomethyl)pyridine;5-methyl-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;2-phenyl-4-(9,9,10,10-tetramethylanthracen-2-yl)pyridine;2-phenyl-4-(9,9,10,10-tetramethylanthracen-2-yl)pyridine;5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;trifluoromethanesulfonic acid

bis(iridium);methanol;2-(4-methylbenzene-6-id-1-yl)-5-(trideuteriomethyl)pyridine;5-methyl-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;2-phenyl-4-(9,9,10,10-tetramethylanthracen-2-yl)pyridine;2-phenyl-4-(9,9,10,10-tetramethylanthracen-2-yl)pyridine;5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;trifluoromethanesulfonic acid (PubChem CID 159677144) has the molecular formula C100H98F3Ir2N5O5S-4 and a molecular weight of 1935.48 g/mol. Its IUPAC name is bis(iridium);methanol;2-(4-methylbenzene-6-id-1-yl)-5-(trideuteriomethyl)pyridine;5-methyl-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;2-phenyl-4-(9,9,10,10-tetramethylanthracen-2-yl)pyridine;2-phenyl-4-(9,9,10,10-tetramethylanthracen-2-yl)pyridine;5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;trifluoromethanesulfonic acid.

Molecular Properties

• Compound Name: bis(iridium);methanol;2-(4-methylbenzene-6-id-1-yl)-5-(trideuteriomethyl)pyridine;5-methyl-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;2-phenyl-4-(9,9,10,10-tetramethylanthracen-2-yl)pyridine;2-phenyl-4-(9,9,10,10-tetramethylanthracen-2-yl)pyridine;5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;trifluoromethanesulfonic acid
• PubChem CID: 159677144
• Molecular Formula: C100H98F3Ir2N5O5S-4
• Molecular Weight: 1935.48 g/mol
• Exact Mass: 1935.73
• IUPAC Name: bis(iridium);methanol;2-(4-methylbenzene-6-id-1-yl)-5-(trideuteriomethyl)pyridine;5-methyl-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;2-phenyl-4-(9,9,10,10-tetramethylanthracen-2-yl)pyridine;2-phenyl-4-(9,9,10,10-tetramethylanthracen-2-yl)pyridine;5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;trifluoromethanesulfonic acid
• SMILES: CC1(C)c2ccccc2C(C)(C)c2cc(-c3ccnc(-c4[c-]cccc4)c3)ccc21.CC1(C)c2ccccc2C(C)(C)c2cc(-c3ccnc(-c4ccccc4)c3)ccc21.CO.CO.O=S(=O)(O)C(F)(F)F.[2H]C([2H])([2H])c1c[c-]c(-c2ccc(C([2H])([2H])[2H])cn2)cc1.[2H]C([2H])([2H])c1c[c-]c(-c2ccc(C)cn2)cc1.[2H]C([2H])([2H])c1ccc(-c2[c-]cc(C)cc2)nc1.[Ir].[Ir]
• InChI: InChI=1S/C29H27N.C29H26N.3C13H12N.CHF3O3S.2CH4O.2Ir/c2*1-28(2)23-12-8-9-13-24(23)29(3,4)26-18-21(14-15-25(26)28)22-16-17-30-27(19-22)20-10-6-5-7-11-20;3*1-10-3-6-12(7-4-10)13-8-5-11(2)9-14-13;2-1(3,4)8(5,6)7;2*1-2;;/h5-19H,1-4H3;5-10,12-19H,1-4H3;3*3-6,8-9H,1-2H3;(H,5,6,7);2*2H,1H3;;/q;4*-1;;;;;/i;;1D3,2D3;2D3;1D3
• InChIKey: NJFDANUVSNYOGY-KMXLFITDSA-N
• XLogP: 23.66
• TPSA: 159.28 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1935.48
LogP ≤ 5	23.66
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', '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;2-(4-methylbenzene-6-id-1-yl)-5-(trideuteriomethyl)pyridine;5-methyl-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;2-phenyl-4-(9,9,10,10-tetramethylanthracen-2-yl)pyridine;2-phenyl-4-(9,9,10,10-tetramethylanthracen-2-yl)pyridine;5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;trifluoromethanesulfonic acid?

The IUPAC name of bis(iridium);methanol;2-(4-methylbenzene-6-id-1-yl)-5-(trideuteriomethyl)pyridine;5-methyl-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;2-phenyl-4-(9,9,10,10-tetramethylanthracen-2-yl)pyridine;2-phenyl-4-(9,9,10,10-tetramethylanthracen-2-yl)pyridine;5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;trifluoromethanesulfonic acid (CID 159677144) is bis(iridium);methanol;2-(4-methylbenzene-6-id-1-yl)-5-(trideuteriomethyl)pyridine;5-methyl-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;2-phenyl-4-(9,9,10,10-tetramethylanthracen-2-yl)pyridine;2-phenyl-4-(9,9,10,10-tetramethylanthracen-2-yl)pyridine;5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;trifluoromethanesulfonic acid.

What is the SMILES notation for bis(iridium);methanol;2-(4-methylbenzene-6-id-1-yl)-5-(trideuteriomethyl)pyridine;5-methyl-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;2-phenyl-4-(9,9,10,10-tetramethylanthracen-2-yl)pyridine;2-phenyl-4-(9,9,10,10-tetramethylanthracen-2-yl)pyridine;5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;trifluoromethanesulfonic acid?

The canonical SMILES for bis(iridium);methanol;2-(4-methylbenzene-6-id-1-yl)-5-(trideuteriomethyl)pyridine;5-methyl-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;2-phenyl-4-(9,9,10,10-tetramethylanthracen-2-yl)pyridine;2-phenyl-4-(9,9,10,10-tetramethylanthracen-2-yl)pyridine;5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;trifluoromethanesulfonic acid is CC1(C)c2ccccc2C(C)(C)c2cc(-c3ccnc(-c4[c-]cccc4)c3)ccc21.CC1(C)c2ccccc2C(C)(C)c2cc(-c3ccnc(-c4ccccc4)c3)ccc21.CO.CO.O=S(=O)(O)C(F)(F)F.[2H]C([2H])([2H])c1c[c-]c(-c2ccc(C([2H])([2H])[2H])cn2)cc1.[2H]C([2H])([2H])c1c[c-]c(-c2ccc(C)cn2)cc1.[2H]C([2H])([2H])c1ccc(-c2[c-]cc(C)cc2)nc1.[Ir].[Ir].

What is the InChIKey of bis(iridium);methanol;2-(4-methylbenzene-6-id-1-yl)-5-(trideuteriomethyl)pyridine;5-methyl-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;2-phenyl-4-(9,9,10,10-tetramethylanthracen-2-yl)pyridine;2-phenyl-4-(9,9,10,10-tetramethylanthracen-2-yl)pyridine;5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;trifluoromethanesulfonic acid?

The InChIKey is NJFDANUVSNYOGY-KMXLFITDSA-N. The full InChI is InChI=1S/C29H27N.C29H26N.3C13H12N.CHF3O3S.2CH4O.2Ir/c2*1-28(2)23-12-8-9-13-24(23)29(3,4)26-18-21(14-15-25(26)28)22-16-17-30-27(19-22)20-10-6-5-7-11-20;3*1-10-3-6-12(7-4-10)13-8-5-11(2)9-14-13;2-1(3,4)8(5,6)7;2*1-2;;/h5-19H,1-4H3;5-10,12-19H,1-4H3;3*3-6,8-9H,1-2H3;(H,5,6,7);2*2H,1H3;;/q;4*-1;;;;;/i;;1D3,2D3;2D3;1D3;;;;;.

What are the key properties of bis(iridium);methanol;2-(4-methylbenzene-6-id-1-yl)-5-(trideuteriomethyl)pyridine;5-methyl-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;2-phenyl-4-(9,9,10,10-tetramethylanthracen-2-yl)pyridine;2-phenyl-4-(9,9,10,10-tetramethylanthracen-2-yl)pyridine;5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;trifluoromethanesulfonic acid?

bis(iridium);methanol;2-(4-methylbenzene-6-id-1-yl)-5-(trideuteriomethyl)pyridine;5-methyl-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;2-phenyl-4-(9,9,10,10-tetramethylanthracen-2-yl)pyridine;2-phenyl-4-(9,9,10,10-tetramethylanthracen-2-yl)pyridine;5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;trifluoromethanesulfonic acid has a molecular weight of 1935.48 g/mol, XLogP of 23.66, 11 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for bis(iridium);methanol;2-(4-methylbenzene-6-id-1-yl)-5-(trideuteriomethyl)pyridine;5-methyl-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;2-phenyl-4-(9,9,10,10-tetramethylanthracen-2-yl)pyridine;2-phenyl-4-(9,9,10,10-tetramethylanthracen-2-yl)pyridine;5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;trifluoromethanesulfonic acid is sourced from PubChem (CID 159677144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).