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

C107H91Ir5N26O2S2-5 — CID 157434559

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

6-[1-(2,6-dimethyl-4-phenylphenyl)tetrazol-5-yl]-2-methyl-5H-1,3-benzothiazol-5-ide;5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-2-methyl-6H-1,3-benzothiazol-6-ide;6-[1-(2,6-diphenylphenyl)tetrazol-5-yl]-2,3-dimethyl-5H-benzimidazol-5-ide;6-[1-[2,6-di(propan-2-yl)phenyl]tetrazol-5-yl]-2-methyl-5H-1,3-benzoxazol-5-ide;pentakis(iridium);2-methyl-5-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]-6H-1,3-benzoxazol-6-ide (PubChem CID 157434559) has the molecular formula C107H91Ir5N26O2S2-5 and a molecular weight of 2798.30 g/mol. Its IUPAC name is 6-[1-(2,6-dimethyl-4-phenylphenyl)tetrazol-5-yl]-2-methyl-5H-1,3-benzothiazol-5-ide;5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-2-methyl-6H-1,3-benzothiazol-6-ide;6-[1-(2,6-diphenylphenyl)tetrazol-5-yl]-2,3-dimethyl-5H-benzimidazol-5-ide;6-[1-[2,6-di(propan-2-yl)phenyl]tetrazol-5-yl]-2-methyl-5H-1,3-benzoxazol-5-ide;pentakis(iridium);2-methyl-5-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]-6H-1,3-benzoxazol-6-ide.

Molecular Properties

• Compound Name: 6-[1-(2,6-dimethyl-4-phenylphenyl)tetrazol-5-yl]-2-methyl-5H-1,3-benzothiazol-5-ide;5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-2-methyl-6H-1,3-benzothiazol-6-ide;6-[1-(2,6-diphenylphenyl)tetrazol-5-yl]-2,3-dimethyl-5H-benzimidazol-5-ide;6-[1-[2,6-di(propan-2-yl)phenyl]tetrazol-5-yl]-2-methyl-5H-1,3-benzoxazol-5-ide;pentakis(iridium);2-methyl-5-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]-6H-1,3-benzoxazol-6-ide
• PubChem CID: 157434559
• Molecular Formula: C107H91Ir5N26O2S2-5
• Molecular Weight: 2798.30 g/mol
• Exact Mass: 2800.54
• IUPAC Name: 6-[1-(2,6-dimethyl-4-phenylphenyl)tetrazol-5-yl]-2-methyl-5H-1,3-benzothiazol-5-ide;5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-2-methyl-6H-1,3-benzothiazol-6-ide;6-[1-(2,6-diphenylphenyl)tetrazol-5-yl]-2,3-dimethyl-5H-benzimidazol-5-ide;6-[1-[2,6-di(propan-2-yl)phenyl]tetrazol-5-yl]-2-methyl-5H-1,3-benzoxazol-5-ide;pentakis(iridium);2-methyl-5-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]-6H-1,3-benzoxazol-6-ide
• SMILES: Cc1cc(C)c(-n2nnnc2-c2[c-]cc3oc(C)nc3c2)c(C)c1.Cc1nc2c[c-]c(-c3nnnn3-c3c(C(C)C)cccc3C(C)C)cc2o1.Cc1nc2c[c-]c(-c3nnnn3-c3c(C)cc(-c4ccccc4)cc3C)cc2s1.Cc1nc2cc(-c3nnnn3-c3c(-c4ccccc4)cccc3-c3ccccc3)[c-]cc2n1C.Cc1nc2cc(-c3nnnn3-c3c(C)cccc3C)[c-]cc2s1.[Ir].[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C28H21N6.C23H18N5S.C21H22N5O.C18H16N5O.C17H14N5S.5Ir/c1-19-29-25-18-22(16-17-26(25)33(19)2)28-30-31-32-34(28)27-23(20-10-5-3-6-11-20)14-9-15-24(27)21-12-7-4-8-13-21;1-14-11-19(17-7-5-4-6-8-17)12-15(2)22(14)28-23(25-26-27-28)18-9-10-20-21(13-18)29-16(3)24-20;1-12(2)16-7-6-8-17(13(3)4)20(16)26-21(23-24-25-26)15-9-10-18-19(11-15)27-14(5)22-18;1-10-7-11(2)17(12(3)8-10)23-18(20-21-22-23)14-5-6-16-15(9-14)19-13(4)24-16;1-10-5-4-6-11(2)16(10)22-17(19-20-21-22)13-7-8-15-14(9-13)18-12(3)23-15;;;;;/h3-15,17-18H,1-2H3;4-8,10-13H,1-3H3;6-8,10-13H,1-5H3;6-9H,1-4H3;4-6,8-9H,1-3H3;;;;;/q5*-1
• InChIKey: SADCOIVRLRRWKU-UHFFFAOYSA-N
• XLogP: 22.97
• TPSA: 313.66 Ų
• H-Bond Acceptors: 30
• Rotatable Bonds: 15
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2798.30
LogP ≤ 5	22.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	30

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

The IUPAC name of 6-[1-(2,6-dimethyl-4-phenylphenyl)tetrazol-5-yl]-2-methyl-5H-1,3-benzothiazol-5-ide;5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-2-methyl-6H-1,3-benzothiazol-6-ide;6-[1-(2,6-diphenylphenyl)tetrazol-5-yl]-2,3-dimethyl-5H-benzimidazol-5-ide;6-[1-[2,6-di(propan-2-yl)phenyl]tetrazol-5-yl]-2-methyl-5H-1,3-benzoxazol-5-ide;pentakis(iridium);2-methyl-5-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]-6H-1,3-benzoxazol-6-ide (CID 157434559) is 6-[1-(2,6-dimethyl-4-phenylphenyl)tetrazol-5-yl]-2-methyl-5H-1,3-benzothiazol-5-ide;5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-2-methyl-6H-1,3-benzothiazol-6-ide;6-[1-(2,6-diphenylphenyl)tetrazol-5-yl]-2,3-dimethyl-5H-benzimidazol-5-ide;6-[1-[2,6-di(propan-2-yl)phenyl]tetrazol-5-yl]-2-methyl-5H-1,3-benzoxazol-5-ide;pentakis(iridium);2-methyl-5-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]-6H-1,3-benzoxazol-6-ide.

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

The canonical SMILES for 6-[1-(2,6-dimethyl-4-phenylphenyl)tetrazol-5-yl]-2-methyl-5H-1,3-benzothiazol-5-ide;5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-2-methyl-6H-1,3-benzothiazol-6-ide;6-[1-(2,6-diphenylphenyl)tetrazol-5-yl]-2,3-dimethyl-5H-benzimidazol-5-ide;6-[1-[2,6-di(propan-2-yl)phenyl]tetrazol-5-yl]-2-methyl-5H-1,3-benzoxazol-5-ide;pentakis(iridium);2-methyl-5-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]-6H-1,3-benzoxazol-6-ide is Cc1cc(C)c(-n2nnnc2-c2[c-]cc3oc(C)nc3c2)c(C)c1.Cc1nc2c[c-]c(-c3nnnn3-c3c(C(C)C)cccc3C(C)C)cc2o1.Cc1nc2c[c-]c(-c3nnnn3-c3c(C)cc(-c4ccccc4)cc3C)cc2s1.Cc1nc2cc(-c3nnnn3-c3c(-c4ccccc4)cccc3-c3ccccc3)[c-]cc2n1C.Cc1nc2cc(-c3nnnn3-c3c(C)cccc3C)[c-]cc2s1.[Ir].[Ir].[Ir].[Ir].[Ir].

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

The InChIKey is SADCOIVRLRRWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21N6.C23H18N5S.C21H22N5O.C18H16N5O.C17H14N5S.5Ir/c1-19-29-25-18-22(16-17-26(25)33(19)2)28-30-31-32-34(28)27-23(20-10-5-3-6-11-20)14-9-15-24(27)21-12-7-4-8-13-21;1-14-11-19(17-7-5-4-6-8-17)12-15(2)22(14)28-23(25-26-27-28)18-9-10-20-21(13-18)29-16(3)24-20;1-12(2)16-7-6-8-17(13(3)4)20(16)26-21(23-24-25-26)15-9-10-18-19(11-15)27-14(5)22-18;1-10-7-11(2)17(12(3)8-10)23-18(20-21-22-23)14-5-6-16-15(9-14)19-13(4)24-16;1-10-5-4-6-11(2)16(10)22-17(19-20-21-22)13-7-8-15-14(9-13)18-12(3)23-15;;;;;/h3-15,17-18H,1-2H3;4-8,10-13H,1-3H3;6-8,10-13H,1-5H3;6-9H,1-4H3;4-6,8-9H,1-3H3;;;;;/q5*-1;;;;;.

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

6-[1-(2,6-dimethyl-4-phenylphenyl)tetrazol-5-yl]-2-methyl-5H-1,3-benzothiazol-5-ide;5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-2-methyl-6H-1,3-benzothiazol-6-ide;6-[1-(2,6-diphenylphenyl)tetrazol-5-yl]-2,3-dimethyl-5H-benzimidazol-5-ide;6-[1-[2,6-di(propan-2-yl)phenyl]tetrazol-5-yl]-2-methyl-5H-1,3-benzoxazol-5-ide;pentakis(iridium);2-methyl-5-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]-6H-1,3-benzoxazol-6-ide has a molecular weight of 2798.30 g/mol, XLogP of 22.97, 15 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[1-(2,6-dimethyl-4-phenylphenyl)tetrazol-5-yl]-2-methyl-5H-1,3-benzothiazol-5-ide;5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-2-methyl-6H-1,3-benzothiazol-6-ide;6-[1-(2,6-diphenylphenyl)tetrazol-5-yl]-2,3-dimethyl-5H-benzimidazol-5-ide;6-[1-[2,6-di(propan-2-yl)phenyl]tetrazol-5-yl]-2-methyl-5H-1,3-benzoxazol-5-ide;pentakis(iridium);2-methyl-5-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]-6H-1,3-benzoxazol-6-ide is sourced from PubChem (CID 157434559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).