5-[1-(3,5-diisocyanophenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;pentakis(iridium);2-methyl-6-[1-(3-methylphenyl)imidazol-2-yl]-5H-1,3-benzoxazol-5-ide;2-methyl-5-(1,3-oxazol-2-yl)-6H-1,3-benzoxazol-6-ide;2-methyl-5-(1,3-thiazol-2-yl)-6H-1,3-benzoxazol-6-ide;trimethyl-[2-[2-(2-methyl-6H-1,3-benzoxazol-6-id-5-yl)imidazol-1-yl]phenyl]silane

C79H58Ir5N15O6SSi-5 — CID 157154241

About 5-[1-(3,5-diisocyanophenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;pentakis(iridium);2-methyl-6-[1-(3-methylphenyl)imidazol-2-yl]-5H-1,3-benzoxazol-5-ide;2-methyl-5-(1,3-oxazol-2-yl)-6H-1,3-benzoxazol-6-ide;2-methyl-5-(1,3-thiazol-2-yl)-6H-1,3-benzoxazol-6-ide;trimethyl-[2-[2-(2-methyl-6H-1,3-benzoxazol-6-id-5-yl)imidazol-1-yl]phenyl]silane

5-[1-(3,5-diisocyanophenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;pentakis(iridium);2-methyl-6-[1-(3-methylphenyl)imidazol-2-yl]-5H-1,3-benzoxazol-5-ide;2-methyl-5-(1,3-oxazol-2-yl)-6H-1,3-benzoxazol-6-ide;2-methyl-5-(1,3-thiazol-2-yl)-6H-1,3-benzoxazol-6-ide;trimethyl-[2-[2-(2-methyl-6H-1,3-benzoxazol-6-id-5-yl)imidazol-1-yl]phenyl]silane (PubChem CID 157154241) has the molecular formula C79H58Ir5N15O6SSi-5 and a molecular weight of 2334.67 g/mol. Its IUPAC name is 5-[1-(3,5-diisocyanophenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;pentakis(iridium);2-methyl-6-[1-(3-methylphenyl)imidazol-2-yl]-5H-1,3-benzoxazol-5-ide;2-methyl-5-(1,3-oxazol-2-yl)-6H-1,3-benzoxazol-6-ide;2-methyl-5-(1,3-thiazol-2-yl)-6H-1,3-benzoxazol-6-ide;trimethyl-[2-[2-(2-methyl-6H-1,3-benzoxazol-6-id-5-yl)imidazol-1-yl]phenyl]silane.

Molecular Properties

• Compound Name: 5-[1-(3,5-diisocyanophenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;pentakis(iridium);2-methyl-6-[1-(3-methylphenyl)imidazol-2-yl]-5H-1,3-benzoxazol-5-ide;2-methyl-5-(1,3-oxazol-2-yl)-6H-1,3-benzoxazol-6-ide;2-methyl-5-(1,3-thiazol-2-yl)-6H-1,3-benzoxazol-6-ide;trimethyl-[2-[2-(2-methyl-6H-1,3-benzoxazol-6-id-5-yl)imidazol-1-yl]phenyl]silane
• PubChem CID: 157154241
• Molecular Formula: C79H58Ir5N15O6SSi-5
• Molecular Weight: 2334.67 g/mol
• Exact Mass: 2337.24
• IUPAC Name: 5-[1-(3,5-diisocyanophenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;pentakis(iridium);2-methyl-6-[1-(3-methylphenyl)imidazol-2-yl]-5H-1,3-benzoxazol-5-ide;2-methyl-5-(1,3-oxazol-2-yl)-6H-1,3-benzoxazol-6-ide;2-methyl-5-(1,3-thiazol-2-yl)-6H-1,3-benzoxazol-6-ide;trimethyl-[2-[2-(2-methyl-6H-1,3-benzoxazol-6-id-5-yl)imidazol-1-yl]phenyl]silane
• SMILES: Cc1cccc(-n2ccnc2-c2[c-]cc3nc(C)oc3c2)c1.Cc1nc2cc(-c3nccn3-c3ccccc3[Si](C)(C)C)[c-]cc2o1.Cc1nc2cc(-c3ncco3)[c-]cc2o1.Cc1nc2cc(-c3nccs3)[c-]cc2o1.[C-]#[N+]c1cc([N+]#[C-])cc(-n2ccnc2-c2[c-]cc3oc(C)nc3c2)c1.[Ir].[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C20H20N3OSi.C19H10N5O.C18H14N3O.C11H7N2O2.C11H7N2OS.5Ir/c1-14-22-16-13-15(9-10-18(16)24-14)20-21-11-12-23(20)17-7-5-6-8-19(17)25(2,3)4;1-12-23-17-8-13(4-5-18(17)25-12)19-22-6-7-24(19)16-10-14(20-2)9-15(11-16)21-3;1-12-4-3-5-15(10-12)21-9-8-19-18(21)14-6-7-16-17(11-14)22-13(2)20-16;1-7-13-9-6-8(2-3-10(9)15-7)11-12-4-5-14-11;1-7-13-9-6-8(2-3-10(9)14-7)11-12-4-5-15-11;;;;;/h5-8,10-13H,1-4H3;5-11H,1H3;3-5,7-11H,1-2H3;2*3-6H,1H3;;;;;/q5*-1
• InChIKey: HLLRCNYPJGCSRM-UHFFFAOYSA-N
• XLogP: 18.96
• TPSA: 231.25 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 9
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2334.67
LogP ≤ 5	18.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[1-(3,5-diisocyanophenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;pentakis(iridium);2-methyl-6-[1-(3-methylphenyl)imidazol-2-yl]-5H-1,3-benzoxazol-5-ide;2-methyl-5-(1,3-oxazol-2-yl)-6H-1,3-benzoxazol-6-ide;2-methyl-5-(1,3-thiazol-2-yl)-6H-1,3-benzoxazol-6-ide;trimethyl-[2-[2-(2-methyl-6H-1,3-benzoxazol-6-id-5-yl)imidazol-1-yl]phenyl]silane?

The IUPAC name of 5-[1-(3,5-diisocyanophenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;pentakis(iridium);2-methyl-6-[1-(3-methylphenyl)imidazol-2-yl]-5H-1,3-benzoxazol-5-ide;2-methyl-5-(1,3-oxazol-2-yl)-6H-1,3-benzoxazol-6-ide;2-methyl-5-(1,3-thiazol-2-yl)-6H-1,3-benzoxazol-6-ide;trimethyl-[2-[2-(2-methyl-6H-1,3-benzoxazol-6-id-5-yl)imidazol-1-yl]phenyl]silane (CID 157154241) is 5-[1-(3,5-diisocyanophenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;pentakis(iridium);2-methyl-6-[1-(3-methylphenyl)imidazol-2-yl]-5H-1,3-benzoxazol-5-ide;2-methyl-5-(1,3-oxazol-2-yl)-6H-1,3-benzoxazol-6-ide;2-methyl-5-(1,3-thiazol-2-yl)-6H-1,3-benzoxazol-6-ide;trimethyl-[2-[2-(2-methyl-6H-1,3-benzoxazol-6-id-5-yl)imidazol-1-yl]phenyl]silane.

What is the SMILES notation for 5-[1-(3,5-diisocyanophenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;pentakis(iridium);2-methyl-6-[1-(3-methylphenyl)imidazol-2-yl]-5H-1,3-benzoxazol-5-ide;2-methyl-5-(1,3-oxazol-2-yl)-6H-1,3-benzoxazol-6-ide;2-methyl-5-(1,3-thiazol-2-yl)-6H-1,3-benzoxazol-6-ide;trimethyl-[2-[2-(2-methyl-6H-1,3-benzoxazol-6-id-5-yl)imidazol-1-yl]phenyl]silane?

The canonical SMILES for 5-[1-(3,5-diisocyanophenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;pentakis(iridium);2-methyl-6-[1-(3-methylphenyl)imidazol-2-yl]-5H-1,3-benzoxazol-5-ide;2-methyl-5-(1,3-oxazol-2-yl)-6H-1,3-benzoxazol-6-ide;2-methyl-5-(1,3-thiazol-2-yl)-6H-1,3-benzoxazol-6-ide;trimethyl-[2-[2-(2-methyl-6H-1,3-benzoxazol-6-id-5-yl)imidazol-1-yl]phenyl]silane is Cc1cccc(-n2ccnc2-c2[c-]cc3nc(C)oc3c2)c1.Cc1nc2cc(-c3nccn3-c3ccccc3[Si](C)(C)C)[c-]cc2o1.Cc1nc2cc(-c3ncco3)[c-]cc2o1.Cc1nc2cc(-c3nccs3)[c-]cc2o1.[C-]#[N+]c1cc([N+]#[C-])cc(-n2ccnc2-c2[c-]cc3oc(C)nc3c2)c1.[Ir].[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of 5-[1-(3,5-diisocyanophenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;pentakis(iridium);2-methyl-6-[1-(3-methylphenyl)imidazol-2-yl]-5H-1,3-benzoxazol-5-ide;2-methyl-5-(1,3-oxazol-2-yl)-6H-1,3-benzoxazol-6-ide;2-methyl-5-(1,3-thiazol-2-yl)-6H-1,3-benzoxazol-6-ide;trimethyl-[2-[2-(2-methyl-6H-1,3-benzoxazol-6-id-5-yl)imidazol-1-yl]phenyl]silane?

The InChIKey is HLLRCNYPJGCSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N3OSi.C19H10N5O.C18H14N3O.C11H7N2O2.C11H7N2OS.5Ir/c1-14-22-16-13-15(9-10-18(16)24-14)20-21-11-12-23(20)17-7-5-6-8-19(17)25(2,3)4;1-12-23-17-8-13(4-5-18(17)25-12)19-22-6-7-24(19)16-10-14(20-2)9-15(11-16)21-3;1-12-4-3-5-15(10-12)21-9-8-19-18(21)14-6-7-16-17(11-14)22-13(2)20-16;1-7-13-9-6-8(2-3-10(9)15-7)11-12-4-5-14-11;1-7-13-9-6-8(2-3-10(9)14-7)11-12-4-5-15-11;;;;;/h5-8,10-13H,1-4H3;5-11H,1H3;3-5,7-11H,1-2H3;2*3-6H,1H3;;;;;/q5*-1;;;;;.

What are the key properties of 5-[1-(3,5-diisocyanophenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;pentakis(iridium);2-methyl-6-[1-(3-methylphenyl)imidazol-2-yl]-5H-1,3-benzoxazol-5-ide;2-methyl-5-(1,3-oxazol-2-yl)-6H-1,3-benzoxazol-6-ide;2-methyl-5-(1,3-thiazol-2-yl)-6H-1,3-benzoxazol-6-ide;trimethyl-[2-[2-(2-methyl-6H-1,3-benzoxazol-6-id-5-yl)imidazol-1-yl]phenyl]silane?

5-[1-(3,5-diisocyanophenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;pentakis(iridium);2-methyl-6-[1-(3-methylphenyl)imidazol-2-yl]-5H-1,3-benzoxazol-5-ide;2-methyl-5-(1,3-oxazol-2-yl)-6H-1,3-benzoxazol-6-ide;2-methyl-5-(1,3-thiazol-2-yl)-6H-1,3-benzoxazol-6-ide;trimethyl-[2-[2-(2-methyl-6H-1,3-benzoxazol-6-id-5-yl)imidazol-1-yl]phenyl]silane has a molecular weight of 2334.67 g/mol, XLogP of 18.96, 9 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-(3,5-diisocyanophenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;pentakis(iridium);2-methyl-6-[1-(3-methylphenyl)imidazol-2-yl]-5H-1,3-benzoxazol-5-ide;2-methyl-5-(1,3-oxazol-2-yl)-6H-1,3-benzoxazol-6-ide;2-methyl-5-(1,3-thiazol-2-yl)-6H-1,3-benzoxazol-6-ide;trimethyl-[2-[2-(2-methyl-6H-1,3-benzoxazol-6-id-5-yl)imidazol-1-yl]phenyl]silane is sourced from PubChem (CID 157154241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).