6-[1-(2,6-dimethylphenyl)imidazol-2-yl]-5H-1,3-benzoxazol-5-ide;6-[1-(2,6-dimethyl-4-phenylphenyl)imidazol-2-yl]-5H-1,3-benzoxazol-5-ide;6-[1-(2,6-diphenylphenyl)imidazol-2-yl]-5H-1,3-benzoxazol-5-ide;6-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-5H-1,3-benzoxazol-5-ide;pentakis(iridium);6-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-5H-1,3-benzoxazol-5-ide

C111H88Ir5N15O5-5 — CID 157459417

About 6-[1-(2,6-dimethylphenyl)imidazol-2-yl]-5H-1,3-benzoxazol-5-ide;6-[1-(2,6-dimethyl-4-phenylphenyl)imidazol-2-yl]-5H-1,3-benzoxazol-5-ide;6-[1-(2,6-diphenylphenyl)imidazol-2-yl]-5H-1,3-benzoxazol-5-ide;6-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-5H-1,3-benzoxazol-5-ide;pentakis(iridium);6-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-5H-1,3-benzoxazol-5-ide

6-[1-(2,6-dimethylphenyl)imidazol-2-yl]-5H-1,3-benzoxazol-5-ide;6-[1-(2,6-dimethyl-4-phenylphenyl)imidazol-2-yl]-5H-1,3-benzoxazol-5-ide;6-[1-(2,6-diphenylphenyl)imidazol-2-yl]-5H-1,3-benzoxazol-5-ide;6-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-5H-1,3-benzoxazol-5-ide;pentakis(iridium);6-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-5H-1,3-benzoxazol-5-ide (PubChem CID 157459417) has the molecular formula C111H88Ir5N15O5-5 and a molecular weight of 2673.11 g/mol. Its IUPAC name is 6-[1-(2,6-dimethylphenyl)imidazol-2-yl]-5H-1,3-benzoxazol-5-ide;6-[1-(2,6-dimethyl-4-phenylphenyl)imidazol-2-yl]-5H-1,3-benzoxazol-5-ide;6-[1-(2,6-diphenylphenyl)imidazol-2-yl]-5H-1,3-benzoxazol-5-ide;6-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-5H-1,3-benzoxazol-5-ide;pentakis(iridium);6-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-5H-1,3-benzoxazol-5-ide.

Molecular Properties

• Compound Name: 6-[1-(2,6-dimethylphenyl)imidazol-2-yl]-5H-1,3-benzoxazol-5-ide;6-[1-(2,6-dimethyl-4-phenylphenyl)imidazol-2-yl]-5H-1,3-benzoxazol-5-ide;6-[1-(2,6-diphenylphenyl)imidazol-2-yl]-5H-1,3-benzoxazol-5-ide;6-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-5H-1,3-benzoxazol-5-ide;pentakis(iridium);6-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-5H-1,3-benzoxazol-5-ide
• PubChem CID: 157459417
• Molecular Formula: C111H88Ir5N15O5-5
• Molecular Weight: 2673.11 g/mol
• Exact Mass: 2675.53
• IUPAC Name: 6-[1-(2,6-dimethylphenyl)imidazol-2-yl]-5H-1,3-benzoxazol-5-ide;6-[1-(2,6-dimethyl-4-phenylphenyl)imidazol-2-yl]-5H-1,3-benzoxazol-5-ide;6-[1-(2,6-diphenylphenyl)imidazol-2-yl]-5H-1,3-benzoxazol-5-ide;6-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-5H-1,3-benzoxazol-5-ide;pentakis(iridium);6-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-5H-1,3-benzoxazol-5-ide
• SMILES: CC(C)c1cccc(C(C)C)c1-n1ccnc1-c1[c-]cc2ncoc2c1.Cc1cc(-c2ccccc2)cc(C)c1-n1ccnc1-c1[c-]cc2ncoc2c1.Cc1cc(C)c(-n2ccnc2-c2[c-]cc3ncoc3c2)c(C)c1.Cc1cccc(C)c1-n1ccnc1-c1[c-]cc2ncoc2c1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1cc2ncoc2cc1-c1nccn1-c1c(-c2ccccc2)cccc1-c1ccccc1
• InChI: InChI=1S/C28H18N3O.C24H18N3O.C22H22N3O.C19H16N3O.C18H14N3O.5Ir/c1-3-8-20(9-4-1)23-12-7-13-24(21-10-5-2-6-11-21)27(23)31-17-16-29-28(31)22-14-15-25-26(18-22)32-19-30-25;1-16-12-20(18-6-4-3-5-7-18)13-17(2)23(16)27-11-10-25-24(27)19-8-9-21-22(14-19)28-15-26-21;1-14(2)17-6-5-7-18(15(3)4)21(17)25-11-10-23-22(25)16-8-9-19-20(12-16)26-13-24-19;1-12-8-13(2)18(14(3)9-12)22-7-6-20-19(22)15-4-5-16-17(10-15)23-11-21-16;1-12-4-3-5-13(2)17(12)21-9-8-19-18(21)14-6-7-15-16(10-14)22-11-20-15;;;;;/h1-13,15-19H;3-7,9-15H,1-2H3;5-7,9-15H,1-4H3;5-11H,1-3H3;3-5,7-11H,1-2H3;;;;;/q5*-1
• InChIKey: RRIDGXGRRHRJCG-UHFFFAOYSA-N
• XLogP: 26.80
• TPSA: 219.25 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 15
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2673.11
LogP ≤ 5	26.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[1-(2,6-dimethylphenyl)imidazol-2-yl]-5H-1,3-benzoxazol-5-ide;6-[1-(2,6-dimethyl-4-phenylphenyl)imidazol-2-yl]-5H-1,3-benzoxazol-5-ide;6-[1-(2,6-diphenylphenyl)imidazol-2-yl]-5H-1,3-benzoxazol-5-ide;6-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-5H-1,3-benzoxazol-5-ide;pentakis(iridium);6-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-5H-1,3-benzoxazol-5-ide?

The IUPAC name of 6-[1-(2,6-dimethylphenyl)imidazol-2-yl]-5H-1,3-benzoxazol-5-ide;6-[1-(2,6-dimethyl-4-phenylphenyl)imidazol-2-yl]-5H-1,3-benzoxazol-5-ide;6-[1-(2,6-diphenylphenyl)imidazol-2-yl]-5H-1,3-benzoxazol-5-ide;6-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-5H-1,3-benzoxazol-5-ide;pentakis(iridium);6-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-5H-1,3-benzoxazol-5-ide (CID 157459417) is 6-[1-(2,6-dimethylphenyl)imidazol-2-yl]-5H-1,3-benzoxazol-5-ide;6-[1-(2,6-dimethyl-4-phenylphenyl)imidazol-2-yl]-5H-1,3-benzoxazol-5-ide;6-[1-(2,6-diphenylphenyl)imidazol-2-yl]-5H-1,3-benzoxazol-5-ide;6-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-5H-1,3-benzoxazol-5-ide;pentakis(iridium);6-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-5H-1,3-benzoxazol-5-ide.

What is the SMILES notation for 6-[1-(2,6-dimethylphenyl)imidazol-2-yl]-5H-1,3-benzoxazol-5-ide;6-[1-(2,6-dimethyl-4-phenylphenyl)imidazol-2-yl]-5H-1,3-benzoxazol-5-ide;6-[1-(2,6-diphenylphenyl)imidazol-2-yl]-5H-1,3-benzoxazol-5-ide;6-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-5H-1,3-benzoxazol-5-ide;pentakis(iridium);6-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-5H-1,3-benzoxazol-5-ide?

The canonical SMILES for 6-[1-(2,6-dimethylphenyl)imidazol-2-yl]-5H-1,3-benzoxazol-5-ide;6-[1-(2,6-dimethyl-4-phenylphenyl)imidazol-2-yl]-5H-1,3-benzoxazol-5-ide;6-[1-(2,6-diphenylphenyl)imidazol-2-yl]-5H-1,3-benzoxazol-5-ide;6-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-5H-1,3-benzoxazol-5-ide;pentakis(iridium);6-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-5H-1,3-benzoxazol-5-ide is CC(C)c1cccc(C(C)C)c1-n1ccnc1-c1[c-]cc2ncoc2c1.Cc1cc(-c2ccccc2)cc(C)c1-n1ccnc1-c1[c-]cc2ncoc2c1.Cc1cc(C)c(-n2ccnc2-c2[c-]cc3ncoc3c2)c(C)c1.Cc1cccc(C)c1-n1ccnc1-c1[c-]cc2ncoc2c1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1cc2ncoc2cc1-c1nccn1-c1c(-c2ccccc2)cccc1-c1ccccc1.

What is the InChIKey of 6-[1-(2,6-dimethylphenyl)imidazol-2-yl]-5H-1,3-benzoxazol-5-ide;6-[1-(2,6-dimethyl-4-phenylphenyl)imidazol-2-yl]-5H-1,3-benzoxazol-5-ide;6-[1-(2,6-diphenylphenyl)imidazol-2-yl]-5H-1,3-benzoxazol-5-ide;6-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-5H-1,3-benzoxazol-5-ide;pentakis(iridium);6-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-5H-1,3-benzoxazol-5-ide?

The InChIKey is RRIDGXGRRHRJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18N3O.C24H18N3O.C22H22N3O.C19H16N3O.C18H14N3O.5Ir/c1-3-8-20(9-4-1)23-12-7-13-24(21-10-5-2-6-11-21)27(23)31-17-16-29-28(31)22-14-15-25-26(18-22)32-19-30-25;1-16-12-20(18-6-4-3-5-7-18)13-17(2)23(16)27-11-10-25-24(27)19-8-9-21-22(14-19)28-15-26-21;1-14(2)17-6-5-7-18(15(3)4)21(17)25-11-10-23-22(25)16-8-9-19-20(12-16)26-13-24-19;1-12-8-13(2)18(14(3)9-12)22-7-6-20-19(22)15-4-5-16-17(10-15)23-11-21-16;1-12-4-3-5-13(2)17(12)21-9-8-19-18(21)14-6-7-15-16(10-14)22-11-20-15;;;;;/h1-13,15-19H;3-7,9-15H,1-2H3;5-7,9-15H,1-4H3;5-11H,1-3H3;3-5,7-11H,1-2H3;;;;;/q5*-1;;;;;.

What are the key properties of 6-[1-(2,6-dimethylphenyl)imidazol-2-yl]-5H-1,3-benzoxazol-5-ide;6-[1-(2,6-dimethyl-4-phenylphenyl)imidazol-2-yl]-5H-1,3-benzoxazol-5-ide;6-[1-(2,6-diphenylphenyl)imidazol-2-yl]-5H-1,3-benzoxazol-5-ide;6-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-5H-1,3-benzoxazol-5-ide;pentakis(iridium);6-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-5H-1,3-benzoxazol-5-ide?

6-[1-(2,6-dimethylphenyl)imidazol-2-yl]-5H-1,3-benzoxazol-5-ide;6-[1-(2,6-dimethyl-4-phenylphenyl)imidazol-2-yl]-5H-1,3-benzoxazol-5-ide;6-[1-(2,6-diphenylphenyl)imidazol-2-yl]-5H-1,3-benzoxazol-5-ide;6-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-5H-1,3-benzoxazol-5-ide;pentakis(iridium);6-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-5H-1,3-benzoxazol-5-ide has a molecular weight of 2673.11 g/mol, XLogP of 26.80, 15 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[1-(2,6-dimethylphenyl)imidazol-2-yl]-5H-1,3-benzoxazol-5-ide;6-[1-(2,6-dimethyl-4-phenylphenyl)imidazol-2-yl]-5H-1,3-benzoxazol-5-ide;6-[1-(2,6-diphenylphenyl)imidazol-2-yl]-5H-1,3-benzoxazol-5-ide;6-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-5H-1,3-benzoxazol-5-ide;pentakis(iridium);6-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-5H-1,3-benzoxazol-5-ide is sourced from PubChem (CID 157459417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).