tris(5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide);bis(7-[1-(2,6-dimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide);6-[1-(2,6-dimethylphenyl)imidazol-2-yl]-3-methyl-5H-benzimidazol-5-ide;bis(5-[4-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]-6H-1,3-benzoxazol-6-ide);5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;5-[4-[2,6-di(propan-2-yl)phenyl]-1,2,4-triazol-3-yl]-6H-1,3-benzoxazol-6-ide;pentakis(iridium)

C187H158Ir5N34O9-10 — CID 157193684

About tris(5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide);bis(7-[1-(2,6-dimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide);6-[1-(2,6-dimethylphenyl)imidazol-2-yl]-3-methyl-5H-benzimidazol-5-ide;bis(5-[4-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]-6H-1,3-benzoxazol-6-ide);5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;5-[4-[2,6-di(propan-2-yl)phenyl]-1,2,4-triazol-3-yl]-6H-1,3-benzoxazol-6-ide;pentakis(iridium)

tris(5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide);bis(7-[1-(2,6-dimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide);6-[1-(2,6-dimethylphenyl)imidazol-2-yl]-3-methyl-5H-benzimidazol-5-ide;bis(5-[4-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]-6H-1,3-benzoxazol-6-ide);5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;5-[4-[2,6-di(propan-2-yl)phenyl]-1,2,4-triazol-3-yl]-6H-1,3-benzoxazol-6-ide;pentakis(iridium) (PubChem CID 157193684) has the molecular formula C187H158Ir5N34O9-10 and a molecular weight of 3986.63 g/mol. Its IUPAC name is tris(5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide);bis(7-[1-(2,6-dimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide);6-[1-(2,6-dimethylphenyl)imidazol-2-yl]-3-methyl-5H-benzimidazol-5-ide;bis(5-[4-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]-6H-1,3-benzoxazol-6-ide);5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;5-[4-[2,6-di(propan-2-yl)phenyl]-1,2,4-triazol-3-yl]-6H-1,3-benzoxazol-6-ide;pentakis(iridium).

Molecular Properties

• Compound Name: tris(5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide);bis(7-[1-(2,6-dimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide);6-[1-(2,6-dimethylphenyl)imidazol-2-yl]-3-methyl-5H-benzimidazol-5-ide;bis(5-[4-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]-6H-1,3-benzoxazol-6-ide);5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;5-[4-[2,6-di(propan-2-yl)phenyl]-1,2,4-triazol-3-yl]-6H-1,3-benzoxazol-6-ide;pentakis(iridium)
• PubChem CID: 157193684
• Molecular Formula: C187H158Ir5N34O9-10
• Molecular Weight: 3986.63 g/mol
• Exact Mass: 3988.12
• IUPAC Name: tris(5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide);bis(7-[1-(2,6-dimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide);6-[1-(2,6-dimethylphenyl)imidazol-2-yl]-3-methyl-5H-benzimidazol-5-ide;bis(5-[4-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]-6H-1,3-benzoxazol-6-ide);5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;5-[4-[2,6-di(propan-2-yl)phenyl]-1,2,4-triazol-3-yl]-6H-1,3-benzoxazol-6-ide;pentakis(iridium)
• SMILES: CC(C)c1cccc(C(C)C)c1-n1cnnc1-c1[c-]cc2ocnc2c1.Cc1cccc(C)c1-n1ccnc1-c1[c-]cc2c(c1)ncn2C.Cc1cccc(C)c1-n1ccnc1-c1[c-]cc2ocnc2c1.Cc1cccc(C)c1-n1ccnc1-c1[c-]cc2ocnc2c1.Cc1cccc(C)c1-n1ccnc1-c1[c-]cc2ocnc2c1.Cc1cccc(C)c1-n1ccnc1-c1[c-]ccc2ncoc12.Cc1cccc(C)c1-n1ccnc1-c1[c-]ccc2ncoc12.Cc1cccc(C)c1-n1cnnc1-c1[c-]cc2ocnc2c1.Cc1cccc(C)c1-n1cnnc1-c1[c-]cc2ocnc2c1.Cc1nc2cc(-c3nccn3-c3c(C(C)C)cccc3C(C)C)[c-]cc2o1.[Ir].[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C23H24N3O.C21H21N4O.C19H17N4.5C18H14N3O.2C17H13N4O.5Ir/c1-14(2)18-7-6-8-19(15(3)4)22(18)26-12-11-24-23(26)17-9-10-21-20(13-17)25-16(5)27-21;1-13(2)16-6-5-7-17(14(3)4)20(16)25-11-23-24-21(25)15-8-9-19-18(10-15)22-12-26-19;1-13-5-4-6-14(2)18(13)23-10-9-20-19(23)15-7-8-17-16(11-15)21-12-22(17)3;2*1-12-5-3-6-13(2)16(12)21-10-9-19-18(21)14-7-4-8-15-17(14)22-11-20-15;3*1-12-4-3-5-13(2)17(12)21-9-8-19-18(21)14-6-7-16-15(10-14)20-11-22-16;2*1-11-4-3-5-12(2)16(11)21-9-19-20-17(21)13-6-7-15-14(8-13)18-10-22-15;;;;;/h6-8,10-15H,1-5H3;5-7,9-14H,1-4H3;4-6,8-12H,1-3H3;2*3-6,8-11H,1-2H3;3*3-5,7-11H,1-2H3;2*3-5,7-10H,1-2H3;;;;;/q10*-1
• InChIKey: OPNKDWWWNGHSKZ-UHFFFAOYSA-N
• XLogP: 42.46
• TPSA: 468.96 Ų
• H-Bond Acceptors: 43
• Rotatable Bonds: 24
• Heavy Atoms: 235
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3986.63
LogP ≤ 5	42.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tris(5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide);bis(7-[1-(2,6-dimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide);6-[1-(2,6-dimethylphenyl)imidazol-2-yl]-3-methyl-5H-benzimidazol-5-ide;bis(5-[4-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]-6H-1,3-benzoxazol-6-ide);5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;5-[4-[2,6-di(propan-2-yl)phenyl]-1,2,4-triazol-3-yl]-6H-1,3-benzoxazol-6-ide;pentakis(iridium)?

The IUPAC name of tris(5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide);bis(7-[1-(2,6-dimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide);6-[1-(2,6-dimethylphenyl)imidazol-2-yl]-3-methyl-5H-benzimidazol-5-ide;bis(5-[4-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]-6H-1,3-benzoxazol-6-ide);5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;5-[4-[2,6-di(propan-2-yl)phenyl]-1,2,4-triazol-3-yl]-6H-1,3-benzoxazol-6-ide;pentakis(iridium) (CID 157193684) is tris(5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide);bis(7-[1-(2,6-dimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide);6-[1-(2,6-dimethylphenyl)imidazol-2-yl]-3-methyl-5H-benzimidazol-5-ide;bis(5-[4-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]-6H-1,3-benzoxazol-6-ide);5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;5-[4-[2,6-di(propan-2-yl)phenyl]-1,2,4-triazol-3-yl]-6H-1,3-benzoxazol-6-ide;pentakis(iridium).

What is the SMILES notation for tris(5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide);bis(7-[1-(2,6-dimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide);6-[1-(2,6-dimethylphenyl)imidazol-2-yl]-3-methyl-5H-benzimidazol-5-ide;bis(5-[4-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]-6H-1,3-benzoxazol-6-ide);5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;5-[4-[2,6-di(propan-2-yl)phenyl]-1,2,4-triazol-3-yl]-6H-1,3-benzoxazol-6-ide;pentakis(iridium)?

The canonical SMILES for tris(5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide);bis(7-[1-(2,6-dimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide);6-[1-(2,6-dimethylphenyl)imidazol-2-yl]-3-methyl-5H-benzimidazol-5-ide;bis(5-[4-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]-6H-1,3-benzoxazol-6-ide);5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;5-[4-[2,6-di(propan-2-yl)phenyl]-1,2,4-triazol-3-yl]-6H-1,3-benzoxazol-6-ide;pentakis(iridium) is CC(C)c1cccc(C(C)C)c1-n1cnnc1-c1[c-]cc2ocnc2c1.Cc1cccc(C)c1-n1ccnc1-c1[c-]cc2c(c1)ncn2C.Cc1cccc(C)c1-n1ccnc1-c1[c-]cc2ocnc2c1.Cc1cccc(C)c1-n1ccnc1-c1[c-]cc2ocnc2c1.Cc1cccc(C)c1-n1ccnc1-c1[c-]cc2ocnc2c1.Cc1cccc(C)c1-n1ccnc1-c1[c-]ccc2ncoc12.Cc1cccc(C)c1-n1ccnc1-c1[c-]ccc2ncoc12.Cc1cccc(C)c1-n1cnnc1-c1[c-]cc2ocnc2c1.Cc1cccc(C)c1-n1cnnc1-c1[c-]cc2ocnc2c1.Cc1nc2cc(-c3nccn3-c3c(C(C)C)cccc3C(C)C)[c-]cc2o1.[Ir].[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of tris(5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide);bis(7-[1-(2,6-dimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide);6-[1-(2,6-dimethylphenyl)imidazol-2-yl]-3-methyl-5H-benzimidazol-5-ide;bis(5-[4-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]-6H-1,3-benzoxazol-6-ide);5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;5-[4-[2,6-di(propan-2-yl)phenyl]-1,2,4-triazol-3-yl]-6H-1,3-benzoxazol-6-ide;pentakis(iridium)?

The InChIKey is OPNKDWWWNGHSKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N3O.C21H21N4O.C19H17N4.5C18H14N3O.2C17H13N4O.5Ir/c1-14(2)18-7-6-8-19(15(3)4)22(18)26-12-11-24-23(26)17-9-10-21-20(13-17)25-16(5)27-21;1-13(2)16-6-5-7-17(14(3)4)20(16)25-11-23-24-21(25)15-8-9-19-18(10-15)22-12-26-19;1-13-5-4-6-14(2)18(13)23-10-9-20-19(23)15-7-8-17-16(11-15)21-12-22(17)3;2*1-12-5-3-6-13(2)16(12)21-10-9-19-18(21)14-7-4-8-15-17(14)22-11-20-15;3*1-12-4-3-5-13(2)17(12)21-9-8-19-18(21)14-6-7-16-15(10-14)20-11-22-16;2*1-11-4-3-5-12(2)16(11)21-9-19-20-17(21)13-6-7-15-14(8-13)18-10-22-15;;;;;/h6-8,10-15H,1-5H3;5-7,9-14H,1-4H3;4-6,8-12H,1-3H3;2*3-6,8-11H,1-2H3;3*3-5,7-11H,1-2H3;2*3-5,7-10H,1-2H3;;;;;/q10*-1;;;;;.

What are the key properties of tris(5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide);bis(7-[1-(2,6-dimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide);6-[1-(2,6-dimethylphenyl)imidazol-2-yl]-3-methyl-5H-benzimidazol-5-ide;bis(5-[4-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]-6H-1,3-benzoxazol-6-ide);5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;5-[4-[2,6-di(propan-2-yl)phenyl]-1,2,4-triazol-3-yl]-6H-1,3-benzoxazol-6-ide;pentakis(iridium)?

tris(5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide);bis(7-[1-(2,6-dimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide);6-[1-(2,6-dimethylphenyl)imidazol-2-yl]-3-methyl-5H-benzimidazol-5-ide;bis(5-[4-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]-6H-1,3-benzoxazol-6-ide);5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;5-[4-[2,6-di(propan-2-yl)phenyl]-1,2,4-triazol-3-yl]-6H-1,3-benzoxazol-6-ide;pentakis(iridium) has a molecular weight of 3986.63 g/mol, XLogP of 42.46, 24 rotatable bonds, 0 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for tris(5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide);bis(7-[1-(2,6-dimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide);6-[1-(2,6-dimethylphenyl)imidazol-2-yl]-3-methyl-5H-benzimidazol-5-ide;bis(5-[4-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]-6H-1,3-benzoxazol-6-ide);5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;5-[4-[2,6-di(propan-2-yl)phenyl]-1,2,4-triazol-3-yl]-6H-1,3-benzoxazol-6-ide;pentakis(iridium) is sourced from PubChem (CID 157193684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).