1-[4-[3,5-bis[4-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]-2,6-di(propan-2-yl)phenyl]-4-(3,5-dimethylphenyl)-2-phenylimidazole;4-(3,5-dimethylphenyl)-1-(2,6-dimethyl-4-phenylphenyl)-2-phenylimidazole;3-(3,5-dipyridin-3-ylphenyl)-5-(4-phenyl-2-phenylimidazol-1-yl)pyridine;tris(iridium)

C130H126Ir3N9-3 — CID 157260548

About 1-[4-[3,5-bis[4-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]-2,6-di(propan-2-yl)phenyl]-4-(3,5-dimethylphenyl)-2-phenylimidazole;4-(3,5-dimethylphenyl)-1-(2,6-dimethyl-4-phenylphenyl)-2-phenylimidazole;3-(3,5-dipyridin-3-ylphenyl)-5-(4-phenyl-2-phenylimidazol-1-yl)pyridine;tris(iridium)

1-[4-[3,5-bis[4-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]-2,6-di(propan-2-yl)phenyl]-4-(3,5-dimethylphenyl)-2-phenylimidazole;4-(3,5-dimethylphenyl)-1-(2,6-dimethyl-4-phenylphenyl)-2-phenylimidazole;3-(3,5-dipyridin-3-ylphenyl)-5-(4-phenyl-2-phenylimidazol-1-yl)pyridine;tris(iridium) (PubChem CID 157260548) has the molecular formula C130H126Ir3N9-3 and a molecular weight of 2391.15 g/mol. Its IUPAC name is 1-[4-[3,5-bis[4-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]-2,6-di(propan-2-yl)phenyl]-4-(3,5-dimethylphenyl)-2-phenylimidazole;4-(3,5-dimethylphenyl)-1-(2,6-dimethyl-4-phenylphenyl)-2-phenylimidazole;3-(3,5-dipyridin-3-ylphenyl)-5-(4-phenyl-2-phenylimidazol-1-yl)pyridine;tris(iridium).

Molecular Properties

• Compound Name: 1-[4-[3,5-bis[4-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]-2,6-di(propan-2-yl)phenyl]-4-(3,5-dimethylphenyl)-2-phenylimidazole;4-(3,5-dimethylphenyl)-1-(2,6-dimethyl-4-phenylphenyl)-2-phenylimidazole;3-(3,5-dipyridin-3-ylphenyl)-5-(4-phenyl-2-phenylimidazol-1-yl)pyridine;tris(iridium)
• PubChem CID: 157260548
• Molecular Formula: C130H126Ir3N9-3
• Molecular Weight: 2391.15 g/mol
• Exact Mass: 2391.90
• IUPAC Name: 1-[4-[3,5-bis[4-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]-2,6-di(propan-2-yl)phenyl]-4-(3,5-dimethylphenyl)-2-phenylimidazole;4-(3,5-dimethylphenyl)-1-(2,6-dimethyl-4-phenylphenyl)-2-phenylimidazole;3-(3,5-dipyridin-3-ylphenyl)-5-(4-phenyl-2-phenylimidazol-1-yl)pyridine;tris(iridium)
• SMILES: Cc1cc(C)cc(-c2cn(-c3c(C(C)C)cc(-c4cc(-c5ccc(C(C)(C)CC(C)(C)C)cc5)cc(-c5ccc(C(C)(C)CC(C)(C)C)cc5)c4)cc3C(C)C)c(-c3[c-]cccc3)n2)c1.Cc1cc(C)cc(-c2cn(-c3c(C)cc(-c4ccccc4)cc3C)c(-c3[c-]cccc3)n2)c1.[Ir].[Ir].[Ir].[c-]1ccccc1-c1nc(-c2ccccc2)cn1-c1cncc(-c2cc(-c3cccnc3)cc(-c3cccnc3)c2)c1
• InChI: InChI=1S/C63H75N2.C36H24N5.C31H27N2.3Ir/c1-41(2)55-36-51(37-56(42(3)4)58(55)65-38-57(52-31-43(5)30-44(6)32-52)64-59(65)47-20-18-17-19-21-47)50-34-48(45-22-26-53(27-23-45)62(13,14)39-60(7,8)9)33-49(35-50)46-24-28-54(29-25-46)63(15,16)40-61(10,11)12;1-3-9-26(10-4-1)35-25-41(36(40-35)27-11-5-2-6-12-27)34-20-33(23-39-24-34)32-18-30(28-13-7-15-37-21-28)17-31(19-32)29-14-8-16-38-22-29;1-21-15-22(2)17-28(16-21)29-20-33(31(32-29)26-13-9-6-10-14-26)30-23(3)18-27(19-24(30)4)25-11-7-5-8-12-25;;;/h17-20,22-38,41-42H,39-40H2,1-16H3;1-11,13-25H;5-13,15-20H,1-4H3;;;/q3*-1
• InChIKey: RWFFKJKKSJIERO-UHFFFAOYSA-N
• XLogP: 34.39
• TPSA: 92.13 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 22
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2391.15
LogP ≤ 5	34.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3,5-bis[4-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]-2,6-di(propan-2-yl)phenyl]-4-(3,5-dimethylphenyl)-2-phenylimidazole;4-(3,5-dimethylphenyl)-1-(2,6-dimethyl-4-phenylphenyl)-2-phenylimidazole;3-(3,5-dipyridin-3-ylphenyl)-5-(4-phenyl-2-phenylimidazol-1-yl)pyridine;tris(iridium)?

The IUPAC name of 1-[4-[3,5-bis[4-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]-2,6-di(propan-2-yl)phenyl]-4-(3,5-dimethylphenyl)-2-phenylimidazole;4-(3,5-dimethylphenyl)-1-(2,6-dimethyl-4-phenylphenyl)-2-phenylimidazole;3-(3,5-dipyridin-3-ylphenyl)-5-(4-phenyl-2-phenylimidazol-1-yl)pyridine;tris(iridium) (CID 157260548) is 1-[4-[3,5-bis[4-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]-2,6-di(propan-2-yl)phenyl]-4-(3,5-dimethylphenyl)-2-phenylimidazole;4-(3,5-dimethylphenyl)-1-(2,6-dimethyl-4-phenylphenyl)-2-phenylimidazole;3-(3,5-dipyridin-3-ylphenyl)-5-(4-phenyl-2-phenylimidazol-1-yl)pyridine;tris(iridium).

What is the SMILES notation for 1-[4-[3,5-bis[4-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]-2,6-di(propan-2-yl)phenyl]-4-(3,5-dimethylphenyl)-2-phenylimidazole;4-(3,5-dimethylphenyl)-1-(2,6-dimethyl-4-phenylphenyl)-2-phenylimidazole;3-(3,5-dipyridin-3-ylphenyl)-5-(4-phenyl-2-phenylimidazol-1-yl)pyridine;tris(iridium)?

The canonical SMILES for 1-[4-[3,5-bis[4-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]-2,6-di(propan-2-yl)phenyl]-4-(3,5-dimethylphenyl)-2-phenylimidazole;4-(3,5-dimethylphenyl)-1-(2,6-dimethyl-4-phenylphenyl)-2-phenylimidazole;3-(3,5-dipyridin-3-ylphenyl)-5-(4-phenyl-2-phenylimidazol-1-yl)pyridine;tris(iridium) is Cc1cc(C)cc(-c2cn(-c3c(C(C)C)cc(-c4cc(-c5ccc(C(C)(C)CC(C)(C)C)cc5)cc(-c5ccc(C(C)(C)CC(C)(C)C)cc5)c4)cc3C(C)C)c(-c3[c-]cccc3)n2)c1.Cc1cc(C)cc(-c2cn(-c3c(C)cc(-c4ccccc4)cc3C)c(-c3[c-]cccc3)n2)c1.[Ir].[Ir].[Ir].[c-]1ccccc1-c1nc(-c2ccccc2)cn1-c1cncc(-c2cc(-c3cccnc3)cc(-c3cccnc3)c2)c1.

What is the InChIKey of 1-[4-[3,5-bis[4-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]-2,6-di(propan-2-yl)phenyl]-4-(3,5-dimethylphenyl)-2-phenylimidazole;4-(3,5-dimethylphenyl)-1-(2,6-dimethyl-4-phenylphenyl)-2-phenylimidazole;3-(3,5-dipyridin-3-ylphenyl)-5-(4-phenyl-2-phenylimidazol-1-yl)pyridine;tris(iridium)?

The InChIKey is RWFFKJKKSJIERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H75N2.C36H24N5.C31H27N2.3Ir/c1-41(2)55-36-51(37-56(42(3)4)58(55)65-38-57(52-31-43(5)30-44(6)32-52)64-59(65)47-20-18-17-19-21-47)50-34-48(45-22-26-53(27-23-45)62(13,14)39-60(7,8)9)33-49(35-50)46-24-28-54(29-25-46)63(15,16)40-61(10,11)12;1-3-9-26(10-4-1)35-25-41(36(40-35)27-11-5-2-6-12-27)34-20-33(23-39-24-34)32-18-30(28-13-7-15-37-21-28)17-31(19-32)29-14-8-16-38-22-29;1-21-15-22(2)17-28(16-21)29-20-33(31(32-29)26-13-9-6-10-14-26)30-23(3)18-27(19-24(30)4)25-11-7-5-8-12-25;;;/h17-20,22-38,41-42H,39-40H2,1-16H3;1-11,13-25H;5-13,15-20H,1-4H3;;;/q3*-1;;;.

What are the key properties of 1-[4-[3,5-bis[4-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]-2,6-di(propan-2-yl)phenyl]-4-(3,5-dimethylphenyl)-2-phenylimidazole;4-(3,5-dimethylphenyl)-1-(2,6-dimethyl-4-phenylphenyl)-2-phenylimidazole;3-(3,5-dipyridin-3-ylphenyl)-5-(4-phenyl-2-phenylimidazol-1-yl)pyridine;tris(iridium)?

1-[4-[3,5-bis[4-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]-2,6-di(propan-2-yl)phenyl]-4-(3,5-dimethylphenyl)-2-phenylimidazole;4-(3,5-dimethylphenyl)-1-(2,6-dimethyl-4-phenylphenyl)-2-phenylimidazole;3-(3,5-dipyridin-3-ylphenyl)-5-(4-phenyl-2-phenylimidazol-1-yl)pyridine;tris(iridium) has a molecular weight of 2391.15 g/mol, XLogP of 34.39, 22 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[3,5-bis[4-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]-2,6-di(propan-2-yl)phenyl]-4-(3,5-dimethylphenyl)-2-phenylimidazole;4-(3,5-dimethylphenyl)-1-(2,6-dimethyl-4-phenylphenyl)-2-phenylimidazole;3-(3,5-dipyridin-3-ylphenyl)-5-(4-phenyl-2-phenylimidazol-1-yl)pyridine;tris(iridium) is sourced from PubChem (CID 157260548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).