bis(4-tert-butyl-2-[4-[4-tert-butyl-6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]butyl]-6-(2,4-difluorobenzene-6-id-1-yl)pyridine);4-tert-butyl-2-[4-[4-tert-butyl-6-(4-fluorobenzene-6-id-1-yl)-2-pyridinyl]butyl]-6-(4-fluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-6-[4-[6-(2,4-difluorobenzene-6-id-1-yl)-4-methyl-2-pyridinyl]butyl]-4-methylpyridine;tetrakis(iridium);tris(1-methyl-3-phenyl-2H-benzimidazol-2-ide);1,4,5-trimethyl-3-phenyl-2H-imidazol-2-ide

C184H176F14Ir4N16-16 — CID 162035749

About bis(4-tert-butyl-2-[4-[4-tert-butyl-6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]butyl]-6-(2,4-difluorobenzene-6-id-1-yl)pyridine);4-tert-butyl-2-[4-[4-tert-butyl-6-(4-fluorobenzene-6-id-1-yl)-2-pyridinyl]butyl]-6-(4-fluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-6-[4-[6-(2,4-difluorobenzene-6-id-1-yl)-4-methyl-2-pyridinyl]butyl]-4-methylpyridine;tetrakis(iridium);tris(1-methyl-3-phenyl-2H-benzimidazol-2-ide);1,4,5-trimethyl-3-phenyl-2H-imidazol-2-ide

bis(4-tert-butyl-2-[4-[4-tert-butyl-6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]butyl]-6-(2,4-difluorobenzene-6-id-1-yl)pyridine);4-tert-butyl-2-[4-[4-tert-butyl-6-(4-fluorobenzene-6-id-1-yl)-2-pyridinyl]butyl]-6-(4-fluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-6-[4-[6-(2,4-difluorobenzene-6-id-1-yl)-4-methyl-2-pyridinyl]butyl]-4-methylpyridine;tetrakis(iridium);tris(1-methyl-3-phenyl-2H-benzimidazol-2-ide);1,4,5-trimethyl-3-phenyl-2H-imidazol-2-ide (PubChem CID 162035749) has the molecular formula C184H176F14Ir4N16-16 and a molecular weight of 3646.38 g/mol. Its IUPAC name is bis(4-tert-butyl-2-[4-[4-tert-butyl-6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]butyl]-6-(2,4-difluorobenzene-6-id-1-yl)pyridine);4-tert-butyl-2-[4-[4-tert-butyl-6-(4-fluorobenzene-6-id-1-yl)-2-pyridinyl]butyl]-6-(4-fluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-6-[4-[6-(2,4-difluorobenzene-6-id-1-yl)-4-methyl-2-pyridinyl]butyl]-4-methylpyridine;tetrakis(iridium);tris(1-methyl-3-phenyl-2H-benzimidazol-2-ide);1,4,5-trimethyl-3-phenyl-2H-imidazol-2-ide.

Molecular Properties

• Compound Name: bis(4-tert-butyl-2-[4-[4-tert-butyl-6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]butyl]-6-(2,4-difluorobenzene-6-id-1-yl)pyridine);4-tert-butyl-2-[4-[4-tert-butyl-6-(4-fluorobenzene-6-id-1-yl)-2-pyridinyl]butyl]-6-(4-fluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-6-[4-[6-(2,4-difluorobenzene-6-id-1-yl)-4-methyl-2-pyridinyl]butyl]-4-methylpyridine;tetrakis(iridium);tris(1-methyl-3-phenyl-2H-benzimidazol-2-ide);1,4,5-trimethyl-3-phenyl-2H-imidazol-2-ide
• PubChem CID: 162035749
• Molecular Formula: C184H176F14Ir4N16-16
• Molecular Weight: 3646.38 g/mol
• Exact Mass: 3647.26
• IUPAC Name: bis(4-tert-butyl-2-[4-[4-tert-butyl-6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]butyl]-6-(2,4-difluorobenzene-6-id-1-yl)pyridine);4-tert-butyl-2-[4-[4-tert-butyl-6-(4-fluorobenzene-6-id-1-yl)-2-pyridinyl]butyl]-6-(4-fluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-6-[4-[6-(2,4-difluorobenzene-6-id-1-yl)-4-methyl-2-pyridinyl]butyl]-4-methylpyridine;tetrakis(iridium);tris(1-methyl-3-phenyl-2H-benzimidazol-2-ide);1,4,5-trimethyl-3-phenyl-2H-imidazol-2-ide
• SMILES: CC(C)(C)c1cc(CCCCc2cc(C(C)(C)C)cc(-c3[c-]cc(F)cc3)n2)nc(-c2[c-]cc(F)cc2)c1.CC(C)(C)c1cc(CCCCc2cc(C(C)(C)C)cc(-c3[c-]cc(F)cc3F)n2)nc(-c2[c-]cc(F)cc2F)c1.CC(C)(C)c1cc(CCCCc2cc(C(C)(C)C)cc(-c3[c-]cc(F)cc3F)n2)nc(-c2[c-]cc(F)cc2F)c1.CC1=C(C)N(c2[c-]cccc2)[CH-]N1C.CN1[CH-]N(c2[c-]cccc2)c2ccccc21.CN1[CH-]N(c2[c-]cccc2)c2ccccc21.CN1[CH-]N(c2[c-]cccc2)c2ccccc21.Cc1cc(CCCCc2cc(C)cc(-c3[c-]cc(F)cc3F)n2)nc(-c2[c-]cc(F)cc2F)c1.[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/2C34H34F4N2.C34H36F2N2.C28H22F4N2.3C14H12N2.C12H14N2.4Ir/c2*1-33(2,3)21-15-25(39-31(17-21)27-13-11-23(35)19-29(27)37)9-7-8-10-26-16-22(34(4,5)6)18-32(40-26)28-14-12-24(36)20-30(28)38;1-33(2,3)25-19-29(37-31(21-25)23-11-15-27(35)16-12-23)9-7-8-10-30-20-26(34(4,5)6)22-32(38-30)24-13-17-28(36)18-14-24;1-17-11-21(33-27(13-17)23-9-7-19(29)15-25(23)31)5-3-4-6-22-12-18(2)14-28(34-22)24-10-8-20(30)16-26(24)32;3*1-15-11-16(12-7-3-2-4-8-12)14-10-6-5-9-13(14)15;1-10-11(2)14(9-13(10)3)12-7-5-4-6-8-12;;;;/h2*11-12,15-20H,7-10H2,1-6H3;11,13,15-22H,7-10H2,1-6H3;7-8,11-16H,3-6H2,1-2H3;3*2-7,9-11H,1H3;4-7,9H,1-3H3;;;;/q8*-2
• InChIKey: UVTHAQHNKLSJHV-UHFFFAOYSA-N
• XLogP: 46.44
• TPSA: 129.04 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 32
• Heavy Atoms: 218
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3646.38
LogP ≤ 5	46.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(4-tert-butyl-2-[4-[4-tert-butyl-6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]butyl]-6-(2,4-difluorobenzene-6-id-1-yl)pyridine);4-tert-butyl-2-[4-[4-tert-butyl-6-(4-fluorobenzene-6-id-1-yl)-2-pyridinyl]butyl]-6-(4-fluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-6-[4-[6-(2,4-difluorobenzene-6-id-1-yl)-4-methyl-2-pyridinyl]butyl]-4-methylpyridine;tetrakis(iridium);tris(1-methyl-3-phenyl-2H-benzimidazol-2-ide);1,4,5-trimethyl-3-phenyl-2H-imidazol-2-ide?

The IUPAC name of bis(4-tert-butyl-2-[4-[4-tert-butyl-6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]butyl]-6-(2,4-difluorobenzene-6-id-1-yl)pyridine);4-tert-butyl-2-[4-[4-tert-butyl-6-(4-fluorobenzene-6-id-1-yl)-2-pyridinyl]butyl]-6-(4-fluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-6-[4-[6-(2,4-difluorobenzene-6-id-1-yl)-4-methyl-2-pyridinyl]butyl]-4-methylpyridine;tetrakis(iridium);tris(1-methyl-3-phenyl-2H-benzimidazol-2-ide);1,4,5-trimethyl-3-phenyl-2H-imidazol-2-ide (CID 162035749) is bis(4-tert-butyl-2-[4-[4-tert-butyl-6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]butyl]-6-(2,4-difluorobenzene-6-id-1-yl)pyridine);4-tert-butyl-2-[4-[4-tert-butyl-6-(4-fluorobenzene-6-id-1-yl)-2-pyridinyl]butyl]-6-(4-fluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-6-[4-[6-(2,4-difluorobenzene-6-id-1-yl)-4-methyl-2-pyridinyl]butyl]-4-methylpyridine;tetrakis(iridium);tris(1-methyl-3-phenyl-2H-benzimidazol-2-ide);1,4,5-trimethyl-3-phenyl-2H-imidazol-2-ide.

What is the SMILES notation for bis(4-tert-butyl-2-[4-[4-tert-butyl-6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]butyl]-6-(2,4-difluorobenzene-6-id-1-yl)pyridine);4-tert-butyl-2-[4-[4-tert-butyl-6-(4-fluorobenzene-6-id-1-yl)-2-pyridinyl]butyl]-6-(4-fluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-6-[4-[6-(2,4-difluorobenzene-6-id-1-yl)-4-methyl-2-pyridinyl]butyl]-4-methylpyridine;tetrakis(iridium);tris(1-methyl-3-phenyl-2H-benzimidazol-2-ide);1,4,5-trimethyl-3-phenyl-2H-imidazol-2-ide?

The canonical SMILES for bis(4-tert-butyl-2-[4-[4-tert-butyl-6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]butyl]-6-(2,4-difluorobenzene-6-id-1-yl)pyridine);4-tert-butyl-2-[4-[4-tert-butyl-6-(4-fluorobenzene-6-id-1-yl)-2-pyridinyl]butyl]-6-(4-fluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-6-[4-[6-(2,4-difluorobenzene-6-id-1-yl)-4-methyl-2-pyridinyl]butyl]-4-methylpyridine;tetrakis(iridium);tris(1-methyl-3-phenyl-2H-benzimidazol-2-ide);1,4,5-trimethyl-3-phenyl-2H-imidazol-2-ide is CC(C)(C)c1cc(CCCCc2cc(C(C)(C)C)cc(-c3[c-]cc(F)cc3)n2)nc(-c2[c-]cc(F)cc2)c1.CC(C)(C)c1cc(CCCCc2cc(C(C)(C)C)cc(-c3[c-]cc(F)cc3F)n2)nc(-c2[c-]cc(F)cc2F)c1.CC(C)(C)c1cc(CCCCc2cc(C(C)(C)C)cc(-c3[c-]cc(F)cc3F)n2)nc(-c2[c-]cc(F)cc2F)c1.CC1=C(C)N(c2[c-]cccc2)[CH-]N1C.CN1[CH-]N(c2[c-]cccc2)c2ccccc21.CN1[CH-]N(c2[c-]cccc2)c2ccccc21.CN1[CH-]N(c2[c-]cccc2)c2ccccc21.Cc1cc(CCCCc2cc(C)cc(-c3[c-]cc(F)cc3F)n2)nc(-c2[c-]cc(F)cc2F)c1.[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of bis(4-tert-butyl-2-[4-[4-tert-butyl-6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]butyl]-6-(2,4-difluorobenzene-6-id-1-yl)pyridine);4-tert-butyl-2-[4-[4-tert-butyl-6-(4-fluorobenzene-6-id-1-yl)-2-pyridinyl]butyl]-6-(4-fluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-6-[4-[6-(2,4-difluorobenzene-6-id-1-yl)-4-methyl-2-pyridinyl]butyl]-4-methylpyridine;tetrakis(iridium);tris(1-methyl-3-phenyl-2H-benzimidazol-2-ide);1,4,5-trimethyl-3-phenyl-2H-imidazol-2-ide?

The InChIKey is UVTHAQHNKLSJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C34H34F4N2.C34H36F2N2.C28H22F4N2.3C14H12N2.C12H14N2.4Ir/c2*1-33(2,3)21-15-25(39-31(17-21)27-13-11-23(35)19-29(27)37)9-7-8-10-26-16-22(34(4,5)6)18-32(40-26)28-14-12-24(36)20-30(28)38;1-33(2,3)25-19-29(37-31(21-25)23-11-15-27(35)16-12-23)9-7-8-10-30-20-26(34(4,5)6)22-32(38-30)24-13-17-28(36)18-14-24;1-17-11-21(33-27(13-17)23-9-7-19(29)15-25(23)31)5-3-4-6-22-12-18(2)14-28(34-22)24-10-8-20(30)16-26(24)32;3*1-15-11-16(12-7-3-2-4-8-12)14-10-6-5-9-13(14)15;1-10-11(2)14(9-13(10)3)12-7-5-4-6-8-12;;;;/h2*11-12,15-20H,7-10H2,1-6H3;11,13,15-22H,7-10H2,1-6H3;7-8,11-16H,3-6H2,1-2H3;3*2-7,9-11H,1H3;4-7,9H,1-3H3;;;;/q8*-2;;;;.

What are the key properties of bis(4-tert-butyl-2-[4-[4-tert-butyl-6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]butyl]-6-(2,4-difluorobenzene-6-id-1-yl)pyridine);4-tert-butyl-2-[4-[4-tert-butyl-6-(4-fluorobenzene-6-id-1-yl)-2-pyridinyl]butyl]-6-(4-fluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-6-[4-[6-(2,4-difluorobenzene-6-id-1-yl)-4-methyl-2-pyridinyl]butyl]-4-methylpyridine;tetrakis(iridium);tris(1-methyl-3-phenyl-2H-benzimidazol-2-ide);1,4,5-trimethyl-3-phenyl-2H-imidazol-2-ide?

bis(4-tert-butyl-2-[4-[4-tert-butyl-6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]butyl]-6-(2,4-difluorobenzene-6-id-1-yl)pyridine);4-tert-butyl-2-[4-[4-tert-butyl-6-(4-fluorobenzene-6-id-1-yl)-2-pyridinyl]butyl]-6-(4-fluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-6-[4-[6-(2,4-difluorobenzene-6-id-1-yl)-4-methyl-2-pyridinyl]butyl]-4-methylpyridine;tetrakis(iridium);tris(1-methyl-3-phenyl-2H-benzimidazol-2-ide);1,4,5-trimethyl-3-phenyl-2H-imidazol-2-ide has a molecular weight of 3646.38 g/mol, XLogP of 46.44, 32 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for bis(4-tert-butyl-2-[4-[4-tert-butyl-6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]butyl]-6-(2,4-difluorobenzene-6-id-1-yl)pyridine);4-tert-butyl-2-[4-[4-tert-butyl-6-(4-fluorobenzene-6-id-1-yl)-2-pyridinyl]butyl]-6-(4-fluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-6-[4-[6-(2,4-difluorobenzene-6-id-1-yl)-4-methyl-2-pyridinyl]butyl]-4-methylpyridine;tetrakis(iridium);tris(1-methyl-3-phenyl-2H-benzimidazol-2-ide);1,4,5-trimethyl-3-phenyl-2H-imidazol-2-ide is sourced from PubChem (CID 162035749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).