[3,5-dimethyl-4-[5-(2-methyl-6H-[1,3]oxazolo[5,4-b]pyridin-6-id-7-yl)-1,2,4-triazol-1-yl]phenyl]-trimethylsilane;1,2-dimethyl-4-[5-methyl-2-(2-phenylphenyl)-1,2,4-triazol-3-yl]-5H-benzimidazol-5-ide;4-[2-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]-2-methyl-5H-1,3-benzoxazol-5-ide-7-carbonitrile;7-[2-[2,6-di(propan-2-yl)phenyl]-1,2,4-triazol-3-yl]-2-methyl-6H-[1,3]oxazolo[5,4-c]pyridin-6-ide;pentakis(iridium);2-methyl-4-[5-methyl-2-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]-5H-1,3-benzoxazol-5-ide

C104H97Ir5N24O4Si-5 — CID 158173315

About [3,5-dimethyl-4-[5-(2-methyl-6H-[1,3]oxazolo[5,4-b]pyridin-6-id-7-yl)-1,2,4-triazol-1-yl]phenyl]-trimethylsilane;1,2-dimethyl-4-[5-methyl-2-(2-phenylphenyl)-1,2,4-triazol-3-yl]-5H-benzimidazol-5-ide;4-[2-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]-2-methyl-5H-1,3-benzoxazol-5-ide-7-carbonitrile;7-[2-[2,6-di(propan-2-yl)phenyl]-1,2,4-triazol-3-yl]-2-methyl-6H-[1,3]oxazolo[5,4-c]pyridin-6-ide;pentakis(iridium);2-methyl-4-[5-methyl-2-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]-5H-1,3-benzoxazol-5-ide

[3,5-dimethyl-4-[5-(2-methyl-6H-[1,3]oxazolo[5,4-b]pyridin-6-id-7-yl)-1,2,4-triazol-1-yl]phenyl]-trimethylsilane;1,2-dimethyl-4-[5-methyl-2-(2-phenylphenyl)-1,2,4-triazol-3-yl]-5H-benzimidazol-5-ide;4-[2-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]-2-methyl-5H-1,3-benzoxazol-5-ide-7-carbonitrile;7-[2-[2,6-di(propan-2-yl)phenyl]-1,2,4-triazol-3-yl]-2-methyl-6H-[1,3]oxazolo[5,4-c]pyridin-6-ide;pentakis(iridium);2-methyl-4-[5-methyl-2-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]-5H-1,3-benzoxazol-5-ide (PubChem CID 158173315) has the molecular formula C104H97Ir5N24O4Si-5 and a molecular weight of 2736.25 g/mol. Its IUPAC name is [3,5-dimethyl-4-[5-(2-methyl-6H-[1,3]oxazolo[5,4-b]pyridin-6-id-7-yl)-1,2,4-triazol-1-yl]phenyl]-trimethylsilane;1,2-dimethyl-4-[5-methyl-2-(2-phenylphenyl)-1,2,4-triazol-3-yl]-5H-benzimidazol-5-ide;4-[2-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]-2-methyl-5H-1,3-benzoxazol-5-ide-7-carbonitrile;7-[2-[2,6-di(propan-2-yl)phenyl]-1,2,4-triazol-3-yl]-2-methyl-6H-[1,3]oxazolo[5,4-c]pyridin-6-ide;pentakis(iridium);2-methyl-4-[5-methyl-2-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]-5H-1,3-benzoxazol-5-ide.

Molecular Properties

• Compound Name: [3,5-dimethyl-4-[5-(2-methyl-6H-[1,3]oxazolo[5,4-b]pyridin-6-id-7-yl)-1,2,4-triazol-1-yl]phenyl]-trimethylsilane;1,2-dimethyl-4-[5-methyl-2-(2-phenylphenyl)-1,2,4-triazol-3-yl]-5H-benzimidazol-5-ide;4-[2-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]-2-methyl-5H-1,3-benzoxazol-5-ide-7-carbonitrile;7-[2-[2,6-di(propan-2-yl)phenyl]-1,2,4-triazol-3-yl]-2-methyl-6H-[1,3]oxazolo[5,4-c]pyridin-6-ide;pentakis(iridium);2-methyl-4-[5-methyl-2-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]-5H-1,3-benzoxazol-5-ide
• PubChem CID: 158173315
• Molecular Formula: C104H97Ir5N24O4Si-5
• Molecular Weight: 2736.25 g/mol
• Exact Mass: 2738.61
• IUPAC Name: [3,5-dimethyl-4-[5-(2-methyl-6H-[1,3]oxazolo[5,4-b]pyridin-6-id-7-yl)-1,2,4-triazol-1-yl]phenyl]-trimethylsilane;1,2-dimethyl-4-[5-methyl-2-(2-phenylphenyl)-1,2,4-triazol-3-yl]-5H-benzimidazol-5-ide;4-[2-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]-2-methyl-5H-1,3-benzoxazol-5-ide-7-carbonitrile;7-[2-[2,6-di(propan-2-yl)phenyl]-1,2,4-triazol-3-yl]-2-methyl-6H-[1,3]oxazolo[5,4-c]pyridin-6-ide;pentakis(iridium);2-methyl-4-[5-methyl-2-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]-5H-1,3-benzoxazol-5-ide
• SMILES: Cc1cc(C)c(-n2nc(C)nc2-c2[c-]ccc3oc(C)nc23)c(C)c1.Cc1nc(-c2[c-]ccc3c2nc(C)n3C)n(-c2ccccc2-c2ccccc2)n1.Cc1nc2c(-c3ncnn3-c3c(C(C)C)cccc3C(C)C)[c-]ncc2o1.Cc1nc2c(-c3ncnn3-c3c(C)cc([Si](C)(C)C)cc3C)[c-]cnc2o1.Cc1nc2c(-c3ncnn3-c3c(C)cccc3C)[c-]cc(C#N)c2o1.[Ir].[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C24H20N5.C21H22N5O.C20H22N5OSi.C20H19N4O.C19H14N5O.5Ir/c1-16-25-24(20-13-9-15-22-23(20)26-17(2)28(22)3)29(27-16)21-14-8-7-12-19(21)18-10-5-4-6-11-18;1-12(2)15-7-6-8-16(13(3)4)20(15)26-21(23-11-24-26)17-9-22-10-18-19(17)25-14(5)27-18;1-12-9-15(27(4,5)6)10-13(2)18(12)25-19(22-11-23-25)16-7-8-21-20-17(16)24-14(3)26-20;1-11-9-12(2)19(13(3)10-11)24-20(21-14(4)23-24)16-7-6-8-17-18(16)22-15(5)25-17;1-11-5-4-6-12(2)17(11)24-19(21-10-22-24)15-8-7-14(9-20)18-16(15)23-13(3)25-18;;;;;/h4-12,14-15H,1-3H3;6-8,10-13H,1-5H3;8-11H,1-6H3;6,8-10H,1-5H3;4-7,10H,1-3H3;;;;;/q5*-1
• InChIKey: KSBAHUIQCKCGDI-UHFFFAOYSA-N
• XLogP: 21.55
• TPSA: 325.06 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 14
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2736.25
LogP ≤ 5	21.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

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 [3,5-dimethyl-4-[5-(2-methyl-6H-[1,3]oxazolo[5,4-b]pyridin-6-id-7-yl)-1,2,4-triazol-1-yl]phenyl]-trimethylsilane;1,2-dimethyl-4-[5-methyl-2-(2-phenylphenyl)-1,2,4-triazol-3-yl]-5H-benzimidazol-5-ide;4-[2-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]-2-methyl-5H-1,3-benzoxazol-5-ide-7-carbonitrile;7-[2-[2,6-di(propan-2-yl)phenyl]-1,2,4-triazol-3-yl]-2-methyl-6H-[1,3]oxazolo[5,4-c]pyridin-6-ide;pentakis(iridium);2-methyl-4-[5-methyl-2-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]-5H-1,3-benzoxazol-5-ide?

The IUPAC name of [3,5-dimethyl-4-[5-(2-methyl-6H-[1,3]oxazolo[5,4-b]pyridin-6-id-7-yl)-1,2,4-triazol-1-yl]phenyl]-trimethylsilane;1,2-dimethyl-4-[5-methyl-2-(2-phenylphenyl)-1,2,4-triazol-3-yl]-5H-benzimidazol-5-ide;4-[2-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]-2-methyl-5H-1,3-benzoxazol-5-ide-7-carbonitrile;7-[2-[2,6-di(propan-2-yl)phenyl]-1,2,4-triazol-3-yl]-2-methyl-6H-[1,3]oxazolo[5,4-c]pyridin-6-ide;pentakis(iridium);2-methyl-4-[5-methyl-2-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]-5H-1,3-benzoxazol-5-ide (CID 158173315) is [3,5-dimethyl-4-[5-(2-methyl-6H-[1,3]oxazolo[5,4-b]pyridin-6-id-7-yl)-1,2,4-triazol-1-yl]phenyl]-trimethylsilane;1,2-dimethyl-4-[5-methyl-2-(2-phenylphenyl)-1,2,4-triazol-3-yl]-5H-benzimidazol-5-ide;4-[2-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]-2-methyl-5H-1,3-benzoxazol-5-ide-7-carbonitrile;7-[2-[2,6-di(propan-2-yl)phenyl]-1,2,4-triazol-3-yl]-2-methyl-6H-[1,3]oxazolo[5,4-c]pyridin-6-ide;pentakis(iridium);2-methyl-4-[5-methyl-2-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]-5H-1,3-benzoxazol-5-ide.

What is the SMILES notation for [3,5-dimethyl-4-[5-(2-methyl-6H-[1,3]oxazolo[5,4-b]pyridin-6-id-7-yl)-1,2,4-triazol-1-yl]phenyl]-trimethylsilane;1,2-dimethyl-4-[5-methyl-2-(2-phenylphenyl)-1,2,4-triazol-3-yl]-5H-benzimidazol-5-ide;4-[2-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]-2-methyl-5H-1,3-benzoxazol-5-ide-7-carbonitrile;7-[2-[2,6-di(propan-2-yl)phenyl]-1,2,4-triazol-3-yl]-2-methyl-6H-[1,3]oxazolo[5,4-c]pyridin-6-ide;pentakis(iridium);2-methyl-4-[5-methyl-2-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]-5H-1,3-benzoxazol-5-ide?

The canonical SMILES for [3,5-dimethyl-4-[5-(2-methyl-6H-[1,3]oxazolo[5,4-b]pyridin-6-id-7-yl)-1,2,4-triazol-1-yl]phenyl]-trimethylsilane;1,2-dimethyl-4-[5-methyl-2-(2-phenylphenyl)-1,2,4-triazol-3-yl]-5H-benzimidazol-5-ide;4-[2-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]-2-methyl-5H-1,3-benzoxazol-5-ide-7-carbonitrile;7-[2-[2,6-di(propan-2-yl)phenyl]-1,2,4-triazol-3-yl]-2-methyl-6H-[1,3]oxazolo[5,4-c]pyridin-6-ide;pentakis(iridium);2-methyl-4-[5-methyl-2-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]-5H-1,3-benzoxazol-5-ide is Cc1cc(C)c(-n2nc(C)nc2-c2[c-]ccc3oc(C)nc23)c(C)c1.Cc1nc(-c2[c-]ccc3c2nc(C)n3C)n(-c2ccccc2-c2ccccc2)n1.Cc1nc2c(-c3ncnn3-c3c(C(C)C)cccc3C(C)C)[c-]ncc2o1.Cc1nc2c(-c3ncnn3-c3c(C)cc([Si](C)(C)C)cc3C)[c-]cnc2o1.Cc1nc2c(-c3ncnn3-c3c(C)cccc3C)[c-]cc(C#N)c2o1.[Ir].[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of [3,5-dimethyl-4-[5-(2-methyl-6H-[1,3]oxazolo[5,4-b]pyridin-6-id-7-yl)-1,2,4-triazol-1-yl]phenyl]-trimethylsilane;1,2-dimethyl-4-[5-methyl-2-(2-phenylphenyl)-1,2,4-triazol-3-yl]-5H-benzimidazol-5-ide;4-[2-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]-2-methyl-5H-1,3-benzoxazol-5-ide-7-carbonitrile;7-[2-[2,6-di(propan-2-yl)phenyl]-1,2,4-triazol-3-yl]-2-methyl-6H-[1,3]oxazolo[5,4-c]pyridin-6-ide;pentakis(iridium);2-methyl-4-[5-methyl-2-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]-5H-1,3-benzoxazol-5-ide?

The InChIKey is KSBAHUIQCKCGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N5.C21H22N5O.C20H22N5OSi.C20H19N4O.C19H14N5O.5Ir/c1-16-25-24(20-13-9-15-22-23(20)26-17(2)28(22)3)29(27-16)21-14-8-7-12-19(21)18-10-5-4-6-11-18;1-12(2)15-7-6-8-16(13(3)4)20(15)26-21(23-11-24-26)17-9-22-10-18-19(17)25-14(5)27-18;1-12-9-15(27(4,5)6)10-13(2)18(12)25-19(22-11-23-25)16-7-8-21-20-17(16)24-14(3)26-20;1-11-9-12(2)19(13(3)10-11)24-20(21-14(4)23-24)16-7-6-8-17-18(16)22-15(5)25-17;1-11-5-4-6-12(2)17(11)24-19(21-10-22-24)15-8-7-14(9-20)18-16(15)23-13(3)25-18;;;;;/h4-12,14-15H,1-3H3;6-8,10-13H,1-5H3;8-11H,1-6H3;6,8-10H,1-5H3;4-7,10H,1-3H3;;;;;/q5*-1;;;;;.

What are the key properties of [3,5-dimethyl-4-[5-(2-methyl-6H-[1,3]oxazolo[5,4-b]pyridin-6-id-7-yl)-1,2,4-triazol-1-yl]phenyl]-trimethylsilane;1,2-dimethyl-4-[5-methyl-2-(2-phenylphenyl)-1,2,4-triazol-3-yl]-5H-benzimidazol-5-ide;4-[2-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]-2-methyl-5H-1,3-benzoxazol-5-ide-7-carbonitrile;7-[2-[2,6-di(propan-2-yl)phenyl]-1,2,4-triazol-3-yl]-2-methyl-6H-[1,3]oxazolo[5,4-c]pyridin-6-ide;pentakis(iridium);2-methyl-4-[5-methyl-2-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]-5H-1,3-benzoxazol-5-ide?

[3,5-dimethyl-4-[5-(2-methyl-6H-[1,3]oxazolo[5,4-b]pyridin-6-id-7-yl)-1,2,4-triazol-1-yl]phenyl]-trimethylsilane;1,2-dimethyl-4-[5-methyl-2-(2-phenylphenyl)-1,2,4-triazol-3-yl]-5H-benzimidazol-5-ide;4-[2-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]-2-methyl-5H-1,3-benzoxazol-5-ide-7-carbonitrile;7-[2-[2,6-di(propan-2-yl)phenyl]-1,2,4-triazol-3-yl]-2-methyl-6H-[1,3]oxazolo[5,4-c]pyridin-6-ide;pentakis(iridium);2-methyl-4-[5-methyl-2-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]-5H-1,3-benzoxazol-5-ide has a molecular weight of 2736.25 g/mol, XLogP of 21.55, 14 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for [3,5-dimethyl-4-[5-(2-methyl-6H-[1,3]oxazolo[5,4-b]pyridin-6-id-7-yl)-1,2,4-triazol-1-yl]phenyl]-trimethylsilane;1,2-dimethyl-4-[5-methyl-2-(2-phenylphenyl)-1,2,4-triazol-3-yl]-5H-benzimidazol-5-ide;4-[2-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]-2-methyl-5H-1,3-benzoxazol-5-ide-7-carbonitrile;7-[2-[2,6-di(propan-2-yl)phenyl]-1,2,4-triazol-3-yl]-2-methyl-6H-[1,3]oxazolo[5,4-c]pyridin-6-ide;pentakis(iridium);2-methyl-4-[5-methyl-2-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]-5H-1,3-benzoxazol-5-ide is sourced from PubChem (CID 158173315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).