7-(1-tert-butylimidazol-2-yl)-6H-[1,3]thiazolo[5,4-c]pyridin-6-ide;4-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2,3,7-trimethyl-5H-benzimidazol-5-ide;4-[1-(2,6-dimethyl-4-phenylphenyl)-5-methylimidazol-2-yl]-7-methyl-5H-1,3-benzothiazol-5-ide;4-(5-fluoro-1-phenylimidazol-2-yl)-5H-1,3-benzothiazol-5-ide;pentakis(iridium);4-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-5H-1,3-benzoxazol-5-ide

C99H83FIr5N17OS3-5 — CID 160564804

About 7-(1-tert-butylimidazol-2-yl)-6H-[1,3]thiazolo[5,4-c]pyridin-6-ide;4-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2,3,7-trimethyl-5H-benzimidazol-5-ide;4-[1-(2,6-dimethyl-4-phenylphenyl)-5-methylimidazol-2-yl]-7-methyl-5H-1,3-benzothiazol-5-ide;4-(5-fluoro-1-phenylimidazol-2-yl)-5H-1,3-benzothiazol-5-ide;pentakis(iridium);4-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-5H-1,3-benzoxazol-5-ide

7-(1-tert-butylimidazol-2-yl)-6H-[1,3]thiazolo[5,4-c]pyridin-6-ide;4-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2,3,7-trimethyl-5H-benzimidazol-5-ide;4-[1-(2,6-dimethyl-4-phenylphenyl)-5-methylimidazol-2-yl]-7-methyl-5H-1,3-benzothiazol-5-ide;4-(5-fluoro-1-phenylimidazol-2-yl)-5H-1,3-benzothiazol-5-ide;pentakis(iridium);4-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-5H-1,3-benzoxazol-5-ide (PubChem CID 160564804) has the molecular formula C99H83FIr5N17OS3-5 and a molecular weight of 2603.15 g/mol. Its IUPAC name is 7-(1-tert-butylimidazol-2-yl)-6H-[1,3]thiazolo[5,4-c]pyridin-6-ide;4-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2,3,7-trimethyl-5H-benzimidazol-5-ide;4-[1-(2,6-dimethyl-4-phenylphenyl)-5-methylimidazol-2-yl]-7-methyl-5H-1,3-benzothiazol-5-ide;4-(5-fluoro-1-phenylimidazol-2-yl)-5H-1,3-benzothiazol-5-ide;pentakis(iridium);4-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-5H-1,3-benzoxazol-5-ide.

Molecular Properties

• Compound Name: 7-(1-tert-butylimidazol-2-yl)-6H-[1,3]thiazolo[5,4-c]pyridin-6-ide;4-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2,3,7-trimethyl-5H-benzimidazol-5-ide;4-[1-(2,6-dimethyl-4-phenylphenyl)-5-methylimidazol-2-yl]-7-methyl-5H-1,3-benzothiazol-5-ide;4-(5-fluoro-1-phenylimidazol-2-yl)-5H-1,3-benzothiazol-5-ide;pentakis(iridium);4-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-5H-1,3-benzoxazol-5-ide
• PubChem CID: 160564804
• Molecular Formula: C99H83FIr5N17OS3-5
• Molecular Weight: 2603.15 g/mol
• Exact Mass: 2605.43
• IUPAC Name: 7-(1-tert-butylimidazol-2-yl)-6H-[1,3]thiazolo[5,4-c]pyridin-6-ide;4-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2,3,7-trimethyl-5H-benzimidazol-5-ide;4-[1-(2,6-dimethyl-4-phenylphenyl)-5-methylimidazol-2-yl]-7-methyl-5H-1,3-benzothiazol-5-ide;4-(5-fluoro-1-phenylimidazol-2-yl)-5H-1,3-benzothiazol-5-ide;pentakis(iridium);4-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-5H-1,3-benzoxazol-5-ide
• SMILES: CC(C)(C)n1ccnc1-c1[c-]ncc2scnc12.Cc1cc(-c2ccccc2)cc(C)c1-n1c(C)cnc1-c1[c-]cc(C)c2scnc12.Cc1cc(C)c(-n2c(-c3[c-]ccc4ocnc34)nc3ccccc32)c(C)c1.Cc1cccc(C)c1-n1ccnc1-c1[c-]cc(C)c2nc(C)n(C)c12.Fc1cnc(-c2[c-]ccc3scnc23)n1-c1ccccc1.[Ir].[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C26H22N3S.C23H18N3O.C21H21N4.C16H9FN3S.C13H13N4S.5Ir/c1-16-10-11-22(23-25(16)30-15-28-23)26-27-14-19(4)29(26)24-17(2)12-21(13-18(24)3)20-8-6-5-7-9-20;1-14-11-15(2)22(16(3)12-14)26-19-9-5-4-8-18(19)25-23(26)17-7-6-10-20-21(17)24-13-27-20;1-13-9-10-17(20-18(13)23-16(4)24(20)5)21-22-11-12-25(21)19-14(2)7-6-8-15(19)3;17-14-9-18-16(20(14)11-5-2-1-3-6-11)12-7-4-8-13-15(12)19-10-21-13;1-13(2,3)17-5-4-15-12(17)9-6-14-7-10-11(9)16-8-18-10;;;;;/h5-10,12-15H,1-4H3;4-6,8-13H,1-3H3;6-9,11-12H,1-5H3;1-6,8-10H;4-5,7-8H,1-3H3;;;;;/q5*-1
• InChIKey: PGTWFZXRFCZDNS-UHFFFAOYSA-N
• XLogP: 24.05
• TPSA: 184.51 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 10
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2603.15
LogP ≤ 5	24.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-(1-tert-butylimidazol-2-yl)-6H-[1,3]thiazolo[5,4-c]pyridin-6-ide;4-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2,3,7-trimethyl-5H-benzimidazol-5-ide;4-[1-(2,6-dimethyl-4-phenylphenyl)-5-methylimidazol-2-yl]-7-methyl-5H-1,3-benzothiazol-5-ide;4-(5-fluoro-1-phenylimidazol-2-yl)-5H-1,3-benzothiazol-5-ide;pentakis(iridium);4-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-5H-1,3-benzoxazol-5-ide?

The IUPAC name of 7-(1-tert-butylimidazol-2-yl)-6H-[1,3]thiazolo[5,4-c]pyridin-6-ide;4-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2,3,7-trimethyl-5H-benzimidazol-5-ide;4-[1-(2,6-dimethyl-4-phenylphenyl)-5-methylimidazol-2-yl]-7-methyl-5H-1,3-benzothiazol-5-ide;4-(5-fluoro-1-phenylimidazol-2-yl)-5H-1,3-benzothiazol-5-ide;pentakis(iridium);4-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-5H-1,3-benzoxazol-5-ide (CID 160564804) is 7-(1-tert-butylimidazol-2-yl)-6H-[1,3]thiazolo[5,4-c]pyridin-6-ide;4-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2,3,7-trimethyl-5H-benzimidazol-5-ide;4-[1-(2,6-dimethyl-4-phenylphenyl)-5-methylimidazol-2-yl]-7-methyl-5H-1,3-benzothiazol-5-ide;4-(5-fluoro-1-phenylimidazol-2-yl)-5H-1,3-benzothiazol-5-ide;pentakis(iridium);4-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-5H-1,3-benzoxazol-5-ide.

What is the SMILES notation for 7-(1-tert-butylimidazol-2-yl)-6H-[1,3]thiazolo[5,4-c]pyridin-6-ide;4-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2,3,7-trimethyl-5H-benzimidazol-5-ide;4-[1-(2,6-dimethyl-4-phenylphenyl)-5-methylimidazol-2-yl]-7-methyl-5H-1,3-benzothiazol-5-ide;4-(5-fluoro-1-phenylimidazol-2-yl)-5H-1,3-benzothiazol-5-ide;pentakis(iridium);4-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-5H-1,3-benzoxazol-5-ide?

The canonical SMILES for 7-(1-tert-butylimidazol-2-yl)-6H-[1,3]thiazolo[5,4-c]pyridin-6-ide;4-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2,3,7-trimethyl-5H-benzimidazol-5-ide;4-[1-(2,6-dimethyl-4-phenylphenyl)-5-methylimidazol-2-yl]-7-methyl-5H-1,3-benzothiazol-5-ide;4-(5-fluoro-1-phenylimidazol-2-yl)-5H-1,3-benzothiazol-5-ide;pentakis(iridium);4-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-5H-1,3-benzoxazol-5-ide is CC(C)(C)n1ccnc1-c1[c-]ncc2scnc12.Cc1cc(-c2ccccc2)cc(C)c1-n1c(C)cnc1-c1[c-]cc(C)c2scnc12.Cc1cc(C)c(-n2c(-c3[c-]ccc4ocnc34)nc3ccccc32)c(C)c1.Cc1cccc(C)c1-n1ccnc1-c1[c-]cc(C)c2nc(C)n(C)c12.Fc1cnc(-c2[c-]ccc3scnc23)n1-c1ccccc1.[Ir].[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of 7-(1-tert-butylimidazol-2-yl)-6H-[1,3]thiazolo[5,4-c]pyridin-6-ide;4-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2,3,7-trimethyl-5H-benzimidazol-5-ide;4-[1-(2,6-dimethyl-4-phenylphenyl)-5-methylimidazol-2-yl]-7-methyl-5H-1,3-benzothiazol-5-ide;4-(5-fluoro-1-phenylimidazol-2-yl)-5H-1,3-benzothiazol-5-ide;pentakis(iridium);4-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-5H-1,3-benzoxazol-5-ide?

The InChIKey is PGTWFZXRFCZDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N3S.C23H18N3O.C21H21N4.C16H9FN3S.C13H13N4S.5Ir/c1-16-10-11-22(23-25(16)30-15-28-23)26-27-14-19(4)29(26)24-17(2)12-21(13-18(24)3)20-8-6-5-7-9-20;1-14-11-15(2)22(16(3)12-14)26-19-9-5-4-8-18(19)25-23(26)17-7-6-10-20-21(17)24-13-27-20;1-13-9-10-17(20-18(13)23-16(4)24(20)5)21-22-11-12-25(21)19-14(2)7-6-8-15(19)3;17-14-9-18-16(20(14)11-5-2-1-3-6-11)12-7-4-8-13-15(12)19-10-21-13;1-13(2,3)17-5-4-15-12(17)9-6-14-7-10-11(9)16-8-18-10;;;;;/h5-10,12-15H,1-4H3;4-6,8-13H,1-3H3;6-9,11-12H,1-5H3;1-6,8-10H;4-5,7-8H,1-3H3;;;;;/q5*-1;;;;;.

What are the key properties of 7-(1-tert-butylimidazol-2-yl)-6H-[1,3]thiazolo[5,4-c]pyridin-6-ide;4-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2,3,7-trimethyl-5H-benzimidazol-5-ide;4-[1-(2,6-dimethyl-4-phenylphenyl)-5-methylimidazol-2-yl]-7-methyl-5H-1,3-benzothiazol-5-ide;4-(5-fluoro-1-phenylimidazol-2-yl)-5H-1,3-benzothiazol-5-ide;pentakis(iridium);4-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-5H-1,3-benzoxazol-5-ide?

7-(1-tert-butylimidazol-2-yl)-6H-[1,3]thiazolo[5,4-c]pyridin-6-ide;4-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2,3,7-trimethyl-5H-benzimidazol-5-ide;4-[1-(2,6-dimethyl-4-phenylphenyl)-5-methylimidazol-2-yl]-7-methyl-5H-1,3-benzothiazol-5-ide;4-(5-fluoro-1-phenylimidazol-2-yl)-5H-1,3-benzothiazol-5-ide;pentakis(iridium);4-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-5H-1,3-benzoxazol-5-ide has a molecular weight of 2603.15 g/mol, XLogP of 24.05, 10 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(1-tert-butylimidazol-2-yl)-6H-[1,3]thiazolo[5,4-c]pyridin-6-ide;4-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2,3,7-trimethyl-5H-benzimidazol-5-ide;4-[1-(2,6-dimethyl-4-phenylphenyl)-5-methylimidazol-2-yl]-7-methyl-5H-1,3-benzothiazol-5-ide;4-(5-fluoro-1-phenylimidazol-2-yl)-5H-1,3-benzothiazol-5-ide;pentakis(iridium);4-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-5H-1,3-benzoxazol-5-ide is sourced from PubChem (CID 160564804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).