8-[3,5-bis(4-tert-butylphenyl)-2,6-dimethylphenyl]-1-(2,6-dimethylphenyl)-5H-imidazo[2,1-a]isoindol-4-ium;1-[4-[3,5-bis(4-tert-butylphenyl)phenyl]-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;1-(2,6-dimethylphenyl)-2-[3-[3-(3,5-diphenylphenyl)phenyl]benzene-6-id-1-yl]imidazole;bis(iridium)

C134H131Ir2N6- — CID 160674012

About 8-[3,5-bis(4-tert-butylphenyl)-2,6-dimethylphenyl]-1-(2,6-dimethylphenyl)-5H-imidazo[2,1-a]isoindol-4-ium;1-[4-[3,5-bis(4-tert-butylphenyl)phenyl]-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;1-(2,6-dimethylphenyl)-2-[3-[3-(3,5-diphenylphenyl)phenyl]benzene-6-id-1-yl]imidazole;bis(iridium)

8-[3,5-bis(4-tert-butylphenyl)-2,6-dimethylphenyl]-1-(2,6-dimethylphenyl)-5H-imidazo[2,1-a]isoindol-4-ium;1-[4-[3,5-bis(4-tert-butylphenyl)phenyl]-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;1-(2,6-dimethylphenyl)-2-[3-[3-(3,5-diphenylphenyl)phenyl]benzene-6-id-1-yl]imidazole;bis(iridium) (PubChem CID 160674012) has the molecular formula C134H131Ir2N6- and a molecular weight of 2210.00 g/mol. Its IUPAC name is 8-[3,5-bis(4-tert-butylphenyl)-2,6-dimethylphenyl]-1-(2,6-dimethylphenyl)-5H-imidazo[2,1-a]isoindol-4-ium;1-[4-[3,5-bis(4-tert-butylphenyl)phenyl]-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;1-(2,6-dimethylphenyl)-2-[3-[3-(3,5-diphenylphenyl)phenyl]benzene-6-id-1-yl]imidazole;bis(iridium).

Molecular Properties

• Compound Name: 8-[3,5-bis(4-tert-butylphenyl)-2,6-dimethylphenyl]-1-(2,6-dimethylphenyl)-5H-imidazo[2,1-a]isoindol-4-ium;1-[4-[3,5-bis(4-tert-butylphenyl)phenyl]-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;1-(2,6-dimethylphenyl)-2-[3-[3-(3,5-diphenylphenyl)phenyl]benzene-6-id-1-yl]imidazole;bis(iridium)
• PubChem CID: 160674012
• Molecular Formula: C134H131Ir2N6-
• Molecular Weight: 2210.00 g/mol
• Exact Mass: 2209.97
• IUPAC Name: 8-[3,5-bis(4-tert-butylphenyl)-2,6-dimethylphenyl]-1-(2,6-dimethylphenyl)-5H-imidazo[2,1-a]isoindol-4-ium;1-[4-[3,5-bis(4-tert-butylphenyl)phenyl]-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;1-(2,6-dimethylphenyl)-2-[3-[3-(3,5-diphenylphenyl)phenyl]benzene-6-id-1-yl]imidazole;bis(iridium)
• SMILES: CC(C)c1cc(-c2cc(-c3ccc(C(C)(C)C)cc3)cc(-c3ccc(C(C)(C)C)cc3)c2)cc(C(C)C)c1-n1ccnc1-c1[c-]cccc1.Cc1cccc(C)c1-n1cc[n+]2c1-c1cc(-c3c(C)c(-c4ccc(C(C)(C)C)cc4)cc(-c4ccc(C(C)(C)C)cc4)c3C)ccc1C2.Cc1cccc(C)c1-n1ccnc1-c1[c-]ccc(-c2cccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2)c1.[Ir].[Ir]
• InChI: InChI=1S/C47H51N2.C46H49N2.C41H31N2.2Ir/c1-31(2)42-29-39(30-43(32(3)4)44(42)49-25-24-48-45(49)35-14-12-11-13-15-35)38-27-36(33-16-20-40(21-17-33)46(5,6)7)26-37(28-38)34-18-22-41(23-19-34)47(8,9)10;1-29-12-11-13-30(2)43(29)48-25-24-47-28-36-15-14-35(26-41(36)44(47)48)42-31(3)39(33-16-20-37(21-17-33)45(5,6)7)27-40(32(42)4)34-18-22-38(23-19-34)46(8,9)10;1-29-12-9-13-30(2)40(29)43-23-22-42-41(43)36-21-11-19-34(25-36)33-18-10-20-35(24-33)39-27-37(31-14-5-3-6-15-31)26-38(28-39)32-16-7-4-8-17-32;;/h11-14,16-32H,1-10H3;11-27H,28H2,1-10H3;3-20,22-28H,1-2H3;;/q-1;+1;-1
• InChIKey: YDJPTKFDKIPEEM-UHFFFAOYSA-N
• XLogP: 35.42
• TPSA: 44.45 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 17
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2210.00
LogP ≤ 5	35.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-[3,5-bis(4-tert-butylphenyl)-2,6-dimethylphenyl]-1-(2,6-dimethylphenyl)-5H-imidazo[2,1-a]isoindol-4-ium;1-[4-[3,5-bis(4-tert-butylphenyl)phenyl]-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;1-(2,6-dimethylphenyl)-2-[3-[3-(3,5-diphenylphenyl)phenyl]benzene-6-id-1-yl]imidazole;bis(iridium)?

The IUPAC name of 8-[3,5-bis(4-tert-butylphenyl)-2,6-dimethylphenyl]-1-(2,6-dimethylphenyl)-5H-imidazo[2,1-a]isoindol-4-ium;1-[4-[3,5-bis(4-tert-butylphenyl)phenyl]-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;1-(2,6-dimethylphenyl)-2-[3-[3-(3,5-diphenylphenyl)phenyl]benzene-6-id-1-yl]imidazole;bis(iridium) (CID 160674012) is 8-[3,5-bis(4-tert-butylphenyl)-2,6-dimethylphenyl]-1-(2,6-dimethylphenyl)-5H-imidazo[2,1-a]isoindol-4-ium;1-[4-[3,5-bis(4-tert-butylphenyl)phenyl]-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;1-(2,6-dimethylphenyl)-2-[3-[3-(3,5-diphenylphenyl)phenyl]benzene-6-id-1-yl]imidazole;bis(iridium).

What is the SMILES notation for 8-[3,5-bis(4-tert-butylphenyl)-2,6-dimethylphenyl]-1-(2,6-dimethylphenyl)-5H-imidazo[2,1-a]isoindol-4-ium;1-[4-[3,5-bis(4-tert-butylphenyl)phenyl]-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;1-(2,6-dimethylphenyl)-2-[3-[3-(3,5-diphenylphenyl)phenyl]benzene-6-id-1-yl]imidazole;bis(iridium)?

The canonical SMILES for 8-[3,5-bis(4-tert-butylphenyl)-2,6-dimethylphenyl]-1-(2,6-dimethylphenyl)-5H-imidazo[2,1-a]isoindol-4-ium;1-[4-[3,5-bis(4-tert-butylphenyl)phenyl]-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;1-(2,6-dimethylphenyl)-2-[3-[3-(3,5-diphenylphenyl)phenyl]benzene-6-id-1-yl]imidazole;bis(iridium) is CC(C)c1cc(-c2cc(-c3ccc(C(C)(C)C)cc3)cc(-c3ccc(C(C)(C)C)cc3)c2)cc(C(C)C)c1-n1ccnc1-c1[c-]cccc1.Cc1cccc(C)c1-n1cc[n+]2c1-c1cc(-c3c(C)c(-c4ccc(C(C)(C)C)cc4)cc(-c4ccc(C(C)(C)C)cc4)c3C)ccc1C2.Cc1cccc(C)c1-n1ccnc1-c1[c-]ccc(-c2cccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2)c1.[Ir].[Ir].

What is the InChIKey of 8-[3,5-bis(4-tert-butylphenyl)-2,6-dimethylphenyl]-1-(2,6-dimethylphenyl)-5H-imidazo[2,1-a]isoindol-4-ium;1-[4-[3,5-bis(4-tert-butylphenyl)phenyl]-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;1-(2,6-dimethylphenyl)-2-[3-[3-(3,5-diphenylphenyl)phenyl]benzene-6-id-1-yl]imidazole;bis(iridium)?

The InChIKey is YDJPTKFDKIPEEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H51N2.C46H49N2.C41H31N2.2Ir/c1-31(2)42-29-39(30-43(32(3)4)44(42)49-25-24-48-45(49)35-14-12-11-13-15-35)38-27-36(33-16-20-40(21-17-33)46(5,6)7)26-37(28-38)34-18-22-41(23-19-34)47(8,9)10;1-29-12-11-13-30(2)43(29)48-25-24-47-28-36-15-14-35(26-41(36)44(47)48)42-31(3)39(33-16-20-37(21-17-33)45(5,6)7)27-40(32(42)4)34-18-22-38(23-19-34)46(8,9)10;1-29-12-9-13-30(2)40(29)43-23-22-42-41(43)36-21-11-19-34(25-36)33-18-10-20-35(24-33)39-27-37(31-14-5-3-6-15-31)26-38(28-39)32-16-7-4-8-17-32;;/h11-14,16-32H,1-10H3;11-27H,28H2,1-10H3;3-20,22-28H,1-2H3;;/q-1;+1;-1;;.

What are the key properties of 8-[3,5-bis(4-tert-butylphenyl)-2,6-dimethylphenyl]-1-(2,6-dimethylphenyl)-5H-imidazo[2,1-a]isoindol-4-ium;1-[4-[3,5-bis(4-tert-butylphenyl)phenyl]-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;1-(2,6-dimethylphenyl)-2-[3-[3-(3,5-diphenylphenyl)phenyl]benzene-6-id-1-yl]imidazole;bis(iridium)?

8-[3,5-bis(4-tert-butylphenyl)-2,6-dimethylphenyl]-1-(2,6-dimethylphenyl)-5H-imidazo[2,1-a]isoindol-4-ium;1-[4-[3,5-bis(4-tert-butylphenyl)phenyl]-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;1-(2,6-dimethylphenyl)-2-[3-[3-(3,5-diphenylphenyl)phenyl]benzene-6-id-1-yl]imidazole;bis(iridium) has a molecular weight of 2210.00 g/mol, XLogP of 35.42, 17 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[3,5-bis(4-tert-butylphenyl)-2,6-dimethylphenyl]-1-(2,6-dimethylphenyl)-5H-imidazo[2,1-a]isoindol-4-ium;1-[4-[3,5-bis(4-tert-butylphenyl)phenyl]-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;1-(2,6-dimethylphenyl)-2-[3-[3-(3,5-diphenylphenyl)phenyl]benzene-6-id-1-yl]imidazole;bis(iridium) is sourced from PubChem (CID 160674012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).