bis(5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide);1-(2,6-dimethylphenyl)-2-phenylimidazole;5-[1-(2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-4-ium-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;diphenyl(pyridin-2-ylmethyl)phosphanium;5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;tetrakis(iridium);iridium(3+);methane;2-(3-methyl-2H-imidazol-2-id-1-yl)pyridine;1-methyl-3-[(3-methyl-2H-benzimidazol-2-id-1-yl)methyl]-2H-benzimidazol-2-ide;1-methyl-3-pyridin-2-yl-2H-benzimidazol-2-ide;2-methyl-5-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide

C179H172Ir5N29O5P-5 — CID 158139013

About bis(5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide);1-(2,6-dimethylphenyl)-2-phenylimidazole;5-[1-(2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-4-ium-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;diphenyl(pyridin-2-ylmethyl)phosphanium;5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;tetrakis(iridium);iridium(3+);methane;2-(3-methyl-2H-imidazol-2-id-1-yl)pyridine;1-methyl-3-[(3-methyl-2H-benzimidazol-2-id-1-yl)methyl]-2H-benzimidazol-2-ide;1-methyl-3-pyridin-2-yl-2H-benzimidazol-2-ide;2-methyl-5-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide

bis(5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide);1-(2,6-dimethylphenyl)-2-phenylimidazole;5-[1-(2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-4-ium-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;diphenyl(pyridin-2-ylmethyl)phosphanium;5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;tetrakis(iridium);iridium(3+);methane;2-(3-methyl-2H-imidazol-2-id-1-yl)pyridine;1-methyl-3-[(3-methyl-2H-benzimidazol-2-id-1-yl)methyl]-2H-benzimidazol-2-ide;1-methyl-3-pyridin-2-yl-2H-benzimidazol-2-ide;2-methyl-5-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide (PubChem CID 158139013) has the molecular formula C179H172Ir5N29O5P-5 and a molecular weight of 3801.60 g/mol. Its IUPAC name is bis(5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide);1-(2,6-dimethylphenyl)-2-phenylimidazole;5-[1-(2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-4-ium-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;diphenyl(pyridin-2-ylmethyl)phosphanium;5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;tetrakis(iridium);iridium(3+);methane;2-(3-methyl-2H-imidazol-2-id-1-yl)pyridine;1-methyl-3-[(3-methyl-2H-benzimidazol-2-id-1-yl)methyl]-2H-benzimidazol-2-ide;1-methyl-3-pyridin-2-yl-2H-benzimidazol-2-ide;2-methyl-5-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide.

Molecular Properties

• Compound Name: bis(5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide);1-(2,6-dimethylphenyl)-2-phenylimidazole;5-[1-(2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-4-ium-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;diphenyl(pyridin-2-ylmethyl)phosphanium;5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;tetrakis(iridium);iridium(3+);methane;2-(3-methyl-2H-imidazol-2-id-1-yl)pyridine;1-methyl-3-[(3-methyl-2H-benzimidazol-2-id-1-yl)methyl]-2H-benzimidazol-2-ide;1-methyl-3-pyridin-2-yl-2H-benzimidazol-2-ide;2-methyl-5-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide
• PubChem CID: 158139013
• Molecular Formula: C179H172Ir5N29O5P-5
• Molecular Weight: 3801.60 g/mol
• Exact Mass: 3803.20
• IUPAC Name: bis(5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide);1-(2,6-dimethylphenyl)-2-phenylimidazole;5-[1-(2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-4-ium-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;diphenyl(pyridin-2-ylmethyl)phosphanium;5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;tetrakis(iridium);iridium(3+);methane;2-(3-methyl-2H-imidazol-2-id-1-yl)pyridine;1-methyl-3-[(3-methyl-2H-benzimidazol-2-id-1-yl)methyl]-2H-benzimidazol-2-ide;1-methyl-3-pyridin-2-yl-2H-benzimidazol-2-ide;2-methyl-5-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide
• SMILES: C.C.CN1C=CN(c2ccccn2)[CH-]1.CN1[CH-]N(CN2[CH-]N(C)c3ccccc32)c2ccccc21.CN1[CH-]N(c2ccccn2)c2ccccc21.Cc1cc(C)c(-n2ccnc2-c2[c-]cc3oc(C)nc3c2)c(C)c1.Cc1cccc(C)c1-n1ccnc1-c1[c-]cccc1.Cc1nc2cc(-c3n[n+]4ccccc4n3-c3c(C)cccc3C)[c-]cc2o1.Cc1nc2cc(-c3nccn3-c3c(C(C)C)cccc3C(C)C)[c-]cc2o1.Cc1nc2cc(-c3nccn3-c3c(C)cccc3C)[c-]cc2o1.Cc1nc2cc(-c3nccn3-c3c(C)cccc3C)[c-]cc2o1.[Ir+3].[Ir].[Ir].[Ir].[Ir].c1ccc([PH+](Cc2ccccn2)c2ccccc2)cc1
• InChI: InChI=1S/C23H24N3O.C22H18N4O.C20H18N3O.2C19H16N3O.C18H16NP.C17H18N4.C17H15N2.C13H12N3.C9H10N3.2CH4.5Ir/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;1-14-7-6-8-15(2)21(14)26-20-9-4-5-12-25(20)24-22(26)17-10-11-19-18(13-17)23-16(3)27-19;1-12-9-13(2)19(14(3)10-12)23-8-7-21-20(23)16-5-6-18-17(11-16)22-15(4)24-18;2*1-12-5-4-6-13(2)18(12)22-10-9-20-19(22)15-7-8-17-16(11-15)21-14(3)23-17;1-3-10-17(11-4-1)20(18-12-5-2-6-13-18)15-16-9-7-8-14-19-16;1-18-11-20(16-9-5-3-7-14(16)18)13-21-12-19(2)15-8-4-6-10-17(15)21;1-13-7-6-8-14(2)16(13)19-12-11-18-17(19)15-9-4-3-5-10-15;1-15-10-16(13-8-4-5-9-14-13)12-7-3-2-6-11(12)15;1-11-6-7-12(8-11)9-4-2-3-5-10-9;;;;;;;/h6-8,10-15H,1-5H3;4-9,11-13H,1-3H3;6-11H,1-4H3;2*4-6,8-11H,1-3H3;1-14H,15H2;3-12H,13H2,1-2H3;3-9,11-12H,1-2H3;2-10H,1H3;2-8H,1H3;2*1H4;;;;;/q-1;;3*-1;;-2;3*-1;;;;;;;+3/p+1
• InChIKey: LHYXXOFATPVFAV-UHFFFAOYSA-O
• XLogP: 39.68
• TPSA: 305.76 Ų
• H-Bond Acceptors: 33
• Rotatable Bonds: 22
• Heavy Atoms: 219
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3801.60
LogP ≤ 5	39.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide);1-(2,6-dimethylphenyl)-2-phenylimidazole;5-[1-(2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-4-ium-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;diphenyl(pyridin-2-ylmethyl)phosphanium;5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;tetrakis(iridium);iridium(3+);methane;2-(3-methyl-2H-imidazol-2-id-1-yl)pyridine;1-methyl-3-[(3-methyl-2H-benzimidazol-2-id-1-yl)methyl]-2H-benzimidazol-2-ide;1-methyl-3-pyridin-2-yl-2H-benzimidazol-2-ide;2-methyl-5-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide?

The IUPAC name of bis(5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide);1-(2,6-dimethylphenyl)-2-phenylimidazole;5-[1-(2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-4-ium-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;diphenyl(pyridin-2-ylmethyl)phosphanium;5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;tetrakis(iridium);iridium(3+);methane;2-(3-methyl-2H-imidazol-2-id-1-yl)pyridine;1-methyl-3-[(3-methyl-2H-benzimidazol-2-id-1-yl)methyl]-2H-benzimidazol-2-ide;1-methyl-3-pyridin-2-yl-2H-benzimidazol-2-ide;2-methyl-5-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide (CID 158139013) is bis(5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide);1-(2,6-dimethylphenyl)-2-phenylimidazole;5-[1-(2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-4-ium-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;diphenyl(pyridin-2-ylmethyl)phosphanium;5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;tetrakis(iridium);iridium(3+);methane;2-(3-methyl-2H-imidazol-2-id-1-yl)pyridine;1-methyl-3-[(3-methyl-2H-benzimidazol-2-id-1-yl)methyl]-2H-benzimidazol-2-ide;1-methyl-3-pyridin-2-yl-2H-benzimidazol-2-ide;2-methyl-5-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide.

What is the SMILES notation for bis(5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide);1-(2,6-dimethylphenyl)-2-phenylimidazole;5-[1-(2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-4-ium-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;diphenyl(pyridin-2-ylmethyl)phosphanium;5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;tetrakis(iridium);iridium(3+);methane;2-(3-methyl-2H-imidazol-2-id-1-yl)pyridine;1-methyl-3-[(3-methyl-2H-benzimidazol-2-id-1-yl)methyl]-2H-benzimidazol-2-ide;1-methyl-3-pyridin-2-yl-2H-benzimidazol-2-ide;2-methyl-5-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide?

The canonical SMILES for bis(5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide);1-(2,6-dimethylphenyl)-2-phenylimidazole;5-[1-(2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-4-ium-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;diphenyl(pyridin-2-ylmethyl)phosphanium;5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;tetrakis(iridium);iridium(3+);methane;2-(3-methyl-2H-imidazol-2-id-1-yl)pyridine;1-methyl-3-[(3-methyl-2H-benzimidazol-2-id-1-yl)methyl]-2H-benzimidazol-2-ide;1-methyl-3-pyridin-2-yl-2H-benzimidazol-2-ide;2-methyl-5-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide is C.C.CN1C=CN(c2ccccn2)[CH-]1.CN1[CH-]N(CN2[CH-]N(C)c3ccccc32)c2ccccc21.CN1[CH-]N(c2ccccn2)c2ccccc21.Cc1cc(C)c(-n2ccnc2-c2[c-]cc3oc(C)nc3c2)c(C)c1.Cc1cccc(C)c1-n1ccnc1-c1[c-]cccc1.Cc1nc2cc(-c3n[n+]4ccccc4n3-c3c(C)cccc3C)[c-]cc2o1.Cc1nc2cc(-c3nccn3-c3c(C(C)C)cccc3C(C)C)[c-]cc2o1.Cc1nc2cc(-c3nccn3-c3c(C)cccc3C)[c-]cc2o1.Cc1nc2cc(-c3nccn3-c3c(C)cccc3C)[c-]cc2o1.[Ir+3].[Ir].[Ir].[Ir].[Ir].c1ccc([PH+](Cc2ccccn2)c2ccccc2)cc1.

What is the InChIKey of bis(5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide);1-(2,6-dimethylphenyl)-2-phenylimidazole;5-[1-(2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-4-ium-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;diphenyl(pyridin-2-ylmethyl)phosphanium;5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;tetrakis(iridium);iridium(3+);methane;2-(3-methyl-2H-imidazol-2-id-1-yl)pyridine;1-methyl-3-[(3-methyl-2H-benzimidazol-2-id-1-yl)methyl]-2H-benzimidazol-2-ide;1-methyl-3-pyridin-2-yl-2H-benzimidazol-2-ide;2-methyl-5-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide?

The InChIKey is LHYXXOFATPVFAV-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H24N3O.C22H18N4O.C20H18N3O.2C19H16N3O.C18H16NP.C17H18N4.C17H15N2.C13H12N3.C9H10N3.2CH4.5Ir/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;1-14-7-6-8-15(2)21(14)26-20-9-4-5-12-25(20)24-22(26)17-10-11-19-18(13-17)23-16(3)27-19;1-12-9-13(2)19(14(3)10-12)23-8-7-21-20(23)16-5-6-18-17(11-16)22-15(4)24-18;2*1-12-5-4-6-13(2)18(12)22-10-9-20-19(22)15-7-8-17-16(11-15)21-14(3)23-17;1-3-10-17(11-4-1)20(18-12-5-2-6-13-18)15-16-9-7-8-14-19-16;1-18-11-20(16-9-5-3-7-14(16)18)13-21-12-19(2)15-8-4-6-10-17(15)21;1-13-7-6-8-14(2)16(13)19-12-11-18-17(19)15-9-4-3-5-10-15;1-15-10-16(13-8-4-5-9-14-13)12-7-3-2-6-11(12)15;1-11-6-7-12(8-11)9-4-2-3-5-10-9;;;;;;;/h6-8,10-15H,1-5H3;4-9,11-13H,1-3H3;6-11H,1-4H3;2*4-6,8-11H,1-3H3;1-14H,15H2;3-12H,13H2,1-2H3;3-9,11-12H,1-2H3;2-10H,1H3;2-8H,1H3;2*1H4;;;;;/q-1;;3*-1;;-2;3*-1;;;;;;;+3/p+1.

What are the key properties of bis(5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide);1-(2,6-dimethylphenyl)-2-phenylimidazole;5-[1-(2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-4-ium-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;diphenyl(pyridin-2-ylmethyl)phosphanium;5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;tetrakis(iridium);iridium(3+);methane;2-(3-methyl-2H-imidazol-2-id-1-yl)pyridine;1-methyl-3-[(3-methyl-2H-benzimidazol-2-id-1-yl)methyl]-2H-benzimidazol-2-ide;1-methyl-3-pyridin-2-yl-2H-benzimidazol-2-ide;2-methyl-5-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide?

bis(5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide);1-(2,6-dimethylphenyl)-2-phenylimidazole;5-[1-(2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-4-ium-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;diphenyl(pyridin-2-ylmethyl)phosphanium;5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;tetrakis(iridium);iridium(3+);methane;2-(3-methyl-2H-imidazol-2-id-1-yl)pyridine;1-methyl-3-[(3-methyl-2H-benzimidazol-2-id-1-yl)methyl]-2H-benzimidazol-2-ide;1-methyl-3-pyridin-2-yl-2H-benzimidazol-2-ide;2-methyl-5-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide has a molecular weight of 3801.60 g/mol, XLogP of 39.68, 22 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for bis(5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide);1-(2,6-dimethylphenyl)-2-phenylimidazole;5-[1-(2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-4-ium-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;diphenyl(pyridin-2-ylmethyl)phosphanium;5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;tetrakis(iridium);iridium(3+);methane;2-(3-methyl-2H-imidazol-2-id-1-yl)pyridine;1-methyl-3-[(3-methyl-2H-benzimidazol-2-id-1-yl)methyl]-2H-benzimidazol-2-ide;1-methyl-3-pyridin-2-yl-2H-benzimidazol-2-ide;2-methyl-5-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide is sourced from PubChem (CID 158139013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).