4-[5-[4-[3-[4-[3-(3H-dibenzofuran-3-id-4-yl)-2H-imidazol-2-id-1-yl]butyl]-2H-imidazol-2-id-1-yl]benzene-5-id-1-yl]pentyl]-2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole;iridium

C60H59IrN6O-5 — CID 153310566

About 4-[5-[4-[3-[4-[3-(3H-dibenzofuran-3-id-4-yl)-2H-imidazol-2-id-1-yl]butyl]-2H-imidazol-2-id-1-yl]benzene-5-id-1-yl]pentyl]-2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole;iridium

4-[5-[4-[3-[4-[3-(3H-dibenzofuran-3-id-4-yl)-2H-imidazol-2-id-1-yl]butyl]-2H-imidazol-2-id-1-yl]benzene-5-id-1-yl]pentyl]-2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole;iridium (PubChem CID 153310566) has the molecular formula C60H59IrN6O-5 and a molecular weight of 1072.39 g/mol. Its IUPAC name is 4-[5-[4-[3-[4-[3-(3H-dibenzofuran-3-id-4-yl)-2H-imidazol-2-id-1-yl]butyl]-2H-imidazol-2-id-1-yl]benzene-5-id-1-yl]pentyl]-2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole;iridium.

Molecular Properties

• Compound Name: 4-[5-[4-[3-[4-[3-(3H-dibenzofuran-3-id-4-yl)-2H-imidazol-2-id-1-yl]butyl]-2H-imidazol-2-id-1-yl]benzene-5-id-1-yl]pentyl]-2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole;iridium
• PubChem CID: 153310566
• Molecular Formula: C60H59IrN6O-5
• Molecular Weight: 1072.39 g/mol
• Exact Mass: 1072.44
• IUPAC Name: 4-[5-[4-[3-[4-[3-(3H-dibenzofuran-3-id-4-yl)-2H-imidazol-2-id-1-yl]butyl]-2H-imidazol-2-id-1-yl]benzene-5-id-1-yl]pentyl]-2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole;iridium
• SMILES: CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1cc(CCCCCc2c[c-]c(N3C=CN(CCCCN4C=CN(c5[c-]ccc6c5oc5ccccc56)[CH-]4)[CH-]3)cc2)nc1-c1[c-]cccc1.[Ir]
• InChI: InChI=1S/C60H59N6O.Ir/c1-44(2)54-39-49(47-20-9-6-10-21-47)40-55(45(3)4)58(54)66-41-50(61-60(66)48-22-11-7-12-23-48)24-13-5-8-19-46-29-31-51(32-30-46)64-37-35-62(42-64)33-16-17-34-63-36-38-65(43-63)56-27-18-26-53-52-25-14-15-28-57(52)67-59(53)56;/h6-7,9-12,14-15,18,20-22,25-26,28-31,35-45H,5,8,13,16-17,19,24,33-34H2,1-4H3;/q-5
• InChIKey: ICXRFKPJKXPWPI-UHFFFAOYSA-N
• XLogP: 14.61
• TPSA: 43.92 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 18
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1072.39
LogP ≤ 5	14.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

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 4-[5-[4-[3-[4-[3-(3H-dibenzofuran-3-id-4-yl)-2H-imidazol-2-id-1-yl]butyl]-2H-imidazol-2-id-1-yl]benzene-5-id-1-yl]pentyl]-2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole;iridium?

The IUPAC name of 4-[5-[4-[3-[4-[3-(3H-dibenzofuran-3-id-4-yl)-2H-imidazol-2-id-1-yl]butyl]-2H-imidazol-2-id-1-yl]benzene-5-id-1-yl]pentyl]-2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole;iridium (CID 153310566) is 4-[5-[4-[3-[4-[3-(3H-dibenzofuran-3-id-4-yl)-2H-imidazol-2-id-1-yl]butyl]-2H-imidazol-2-id-1-yl]benzene-5-id-1-yl]pentyl]-2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole;iridium.

What is the SMILES notation for 4-[5-[4-[3-[4-[3-(3H-dibenzofuran-3-id-4-yl)-2H-imidazol-2-id-1-yl]butyl]-2H-imidazol-2-id-1-yl]benzene-5-id-1-yl]pentyl]-2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole;iridium?

The canonical SMILES for 4-[5-[4-[3-[4-[3-(3H-dibenzofuran-3-id-4-yl)-2H-imidazol-2-id-1-yl]butyl]-2H-imidazol-2-id-1-yl]benzene-5-id-1-yl]pentyl]-2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole;iridium is CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1cc(CCCCCc2c[c-]c(N3C=CN(CCCCN4C=CN(c5[c-]ccc6c5oc5ccccc56)[CH-]4)[CH-]3)cc2)nc1-c1[c-]cccc1.[Ir].

What is the InChIKey of 4-[5-[4-[3-[4-[3-(3H-dibenzofuran-3-id-4-yl)-2H-imidazol-2-id-1-yl]butyl]-2H-imidazol-2-id-1-yl]benzene-5-id-1-yl]pentyl]-2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole;iridium?

The InChIKey is ICXRFKPJKXPWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H59N6O.Ir/c1-44(2)54-39-49(47-20-9-6-10-21-47)40-55(45(3)4)58(54)66-41-50(61-60(66)48-22-11-7-12-23-48)24-13-5-8-19-46-29-31-51(32-30-46)64-37-35-62(42-64)33-16-17-34-63-36-38-65(43-63)56-27-18-26-53-52-25-14-15-28-57(52)67-59(53)56;/h6-7,9-12,14-15,18,20-22,25-26,28-31,35-45H,5,8,13,16-17,19,24,33-34H2,1-4H3;/q-5;.

What are the key properties of 4-[5-[4-[3-[4-[3-(3H-dibenzofuran-3-id-4-yl)-2H-imidazol-2-id-1-yl]butyl]-2H-imidazol-2-id-1-yl]benzene-5-id-1-yl]pentyl]-2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole;iridium?

4-[5-[4-[3-[4-[3-(3H-dibenzofuran-3-id-4-yl)-2H-imidazol-2-id-1-yl]butyl]-2H-imidazol-2-id-1-yl]benzene-5-id-1-yl]pentyl]-2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole;iridium has a molecular weight of 1072.39 g/mol, XLogP of 14.61, 18 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-[4-[3-[4-[3-(3H-dibenzofuran-3-id-4-yl)-2H-imidazol-2-id-1-yl]butyl]-2H-imidazol-2-id-1-yl]benzene-5-id-1-yl]pentyl]-2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole;iridium is sourced from PubChem (CID 153310566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).