1-cyclohexyl-3-phenyl-2H-imidazol-2-ide;tris(iridium);bis(iridium(3+));3-(3H-isoquinolin-3-id-4-yl)-1,2-benzoxazole;4-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-4-id-1-yl]pyridine;4-methyl-2-(3-methylbenzene-6-id-1-yl)pyridine;3-phenyl-1,2-benzoxazole;3-phenyl-4,6-di(propan-2-yl)-1,2-benzothiazole;4-phenylpyridine-2-carboxylic acid;3-(2,3,4,5-tetramethylbenzene-6-id-1-yl)-1,2-benzothiazole;4,5,6,7-tetramethyl-3-phenyl-1,2-benzoxazole

C137H121Ir5N13O5S2-4 — CID 159632390

About 1-cyclohexyl-3-phenyl-2H-imidazol-2-ide;tris(iridium);bis(iridium(3+));3-(3H-isoquinolin-3-id-4-yl)-1,2-benzoxazole;4-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-4-id-1-yl]pyridine;4-methyl-2-(3-methylbenzene-6-id-1-yl)pyridine;3-phenyl-1,2-benzoxazole;3-phenyl-4,6-di(propan-2-yl)-1,2-benzothiazole;4-phenylpyridine-2-carboxylic acid;3-(2,3,4,5-tetramethylbenzene-6-id-1-yl)-1,2-benzothiazole;4,5,6,7-tetramethyl-3-phenyl-1,2-benzoxazole

1-cyclohexyl-3-phenyl-2H-imidazol-2-ide;tris(iridium);bis(iridium(3+));3-(3H-isoquinolin-3-id-4-yl)-1,2-benzoxazole;4-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-4-id-1-yl]pyridine;4-methyl-2-(3-methylbenzene-6-id-1-yl)pyridine;3-phenyl-1,2-benzoxazole;3-phenyl-4,6-di(propan-2-yl)-1,2-benzothiazole;4-phenylpyridine-2-carboxylic acid;3-(2,3,4,5-tetramethylbenzene-6-id-1-yl)-1,2-benzothiazole;4,5,6,7-tetramethyl-3-phenyl-1,2-benzoxazole (PubChem CID 159632390) has the molecular formula C137H121Ir5N13O5S2-4 and a molecular weight of 3054.78 g/mol. Its IUPAC name is 1-cyclohexyl-3-phenyl-2H-imidazol-2-ide;tris(iridium);bis(iridium(3+));3-(3H-isoquinolin-3-id-4-yl)-1,2-benzoxazole;4-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-4-id-1-yl]pyridine;4-methyl-2-(3-methylbenzene-6-id-1-yl)pyridine;3-phenyl-1,2-benzoxazole;3-phenyl-4,6-di(propan-2-yl)-1,2-benzothiazole;4-phenylpyridine-2-carboxylic acid;3-(2,3,4,5-tetramethylbenzene-6-id-1-yl)-1,2-benzothiazole;4,5,6,7-tetramethyl-3-phenyl-1,2-benzoxazole.

Molecular Properties

• Compound Name: 1-cyclohexyl-3-phenyl-2H-imidazol-2-ide;tris(iridium);bis(iridium(3+));3-(3H-isoquinolin-3-id-4-yl)-1,2-benzoxazole;4-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-4-id-1-yl]pyridine;4-methyl-2-(3-methylbenzene-6-id-1-yl)pyridine;3-phenyl-1,2-benzoxazole;3-phenyl-4,6-di(propan-2-yl)-1,2-benzothiazole;4-phenylpyridine-2-carboxylic acid;3-(2,3,4,5-tetramethylbenzene-6-id-1-yl)-1,2-benzothiazole;4,5,6,7-tetramethyl-3-phenyl-1,2-benzoxazole
• PubChem CID: 159632390
• Molecular Formula: C137H121Ir5N13O5S2-4
• Molecular Weight: 3054.78 g/mol
• Exact Mass: 3056.72
• IUPAC Name: 1-cyclohexyl-3-phenyl-2H-imidazol-2-ide;tris(iridium);bis(iridium(3+));3-(3H-isoquinolin-3-id-4-yl)-1,2-benzoxazole;4-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-4-id-1-yl]pyridine;4-methyl-2-(3-methylbenzene-6-id-1-yl)pyridine;3-phenyl-1,2-benzoxazole;3-phenyl-4,6-di(propan-2-yl)-1,2-benzothiazole;4-phenylpyridine-2-carboxylic acid;3-(2,3,4,5-tetramethylbenzene-6-id-1-yl)-1,2-benzothiazole;4,5,6,7-tetramethyl-3-phenyl-1,2-benzoxazole
• SMILES: CC(C)c1cc(C(C)C)c2c(-c3[c-]cccc3)nsc2c1.CN1C=CN(c2[c-]ccc(-c3ccncc3)c2)[CH-]1.Cc1[c-]c(-c2nsc3ccccc23)c(C)c(C)c1C.Cc1c(C)c(C)c2c(-c3[c-]cccc3)noc2c1C.Cc1cc[c-]c(-c2cc(C)ccn2)c1.O=C(O)c1cc(-c2ccccc2)ccn1.[Ir+3].[Ir+3].[Ir].[Ir].[Ir].[c-]1ccccc1-c1noc2ccccc12.[c-]1ccccc1N1C=CN(C2CCCCC2)[CH-]1.[c-]1ncc2ccccc2c1-c1noc2ccccc12
• InChI: InChI=1S/C19H20NS.C17H16NO.C17H16NS.C16H9N2O.C15H13N3.C15H18N2.C13H8NO.C13H12N.C12H9NO2.5Ir/c1-12(2)15-10-16(13(3)4)18-17(11-15)21-20-19(18)14-8-6-5-7-9-14;1-10-11(2)13(4)17-15(12(10)3)16(18-19-17)14-8-6-5-7-9-14;1-10-9-15(13(4)12(3)11(10)2)17-14-7-5-6-8-16(14)19-18-17;1-2-6-12-11(5-1)9-17-10-14(12)16-13-7-3-4-8-15(13)19-18-16;1-17-9-10-18(12-17)15-4-2-3-14(11-15)13-5-7-16-8-6-13;1-3-7-14(8-4-1)16-11-12-17(13-16)15-9-5-2-6-10-15;1-2-6-10(7-3-1)13-11-8-4-5-9-12(11)15-14-13;1-10-4-3-5-12(8-10)13-9-11(2)6-7-14-13;14-12(15)11-8-10(6-7-13-11)9-4-2-1-3-5-9;;;;;/h5-8,10-13H,1-4H3;2*5-8H,1-4H3;1-9H;2-3,5-12H,1H3;1,3-4,7,11-13,15H,2,5-6,9-10H2;1-6,8-9H;3-4,6-9H,1-2H3;1-8H,(H,14,15);;;;;/q4*-1;2*-2;2*-1;;;;;2*+3
• InChIKey: VKXPTKFLSZXMTD-UHFFFAOYSA-N
• XLogP: 34.70
• TPSA: 205.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 19
• Rotatable Bonds: 14
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3054.78
LogP ≤ 5	34.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-phenyl-2H-imidazol-2-ide;tris(iridium);bis(iridium(3+));3-(3H-isoquinolin-3-id-4-yl)-1,2-benzoxazole;4-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-4-id-1-yl]pyridine;4-methyl-2-(3-methylbenzene-6-id-1-yl)pyridine;3-phenyl-1,2-benzoxazole;3-phenyl-4,6-di(propan-2-yl)-1,2-benzothiazole;4-phenylpyridine-2-carboxylic acid;3-(2,3,4,5-tetramethylbenzene-6-id-1-yl)-1,2-benzothiazole;4,5,6,7-tetramethyl-3-phenyl-1,2-benzoxazole?

The IUPAC name of 1-cyclohexyl-3-phenyl-2H-imidazol-2-ide;tris(iridium);bis(iridium(3+));3-(3H-isoquinolin-3-id-4-yl)-1,2-benzoxazole;4-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-4-id-1-yl]pyridine;4-methyl-2-(3-methylbenzene-6-id-1-yl)pyridine;3-phenyl-1,2-benzoxazole;3-phenyl-4,6-di(propan-2-yl)-1,2-benzothiazole;4-phenylpyridine-2-carboxylic acid;3-(2,3,4,5-tetramethylbenzene-6-id-1-yl)-1,2-benzothiazole;4,5,6,7-tetramethyl-3-phenyl-1,2-benzoxazole (CID 159632390) is 1-cyclohexyl-3-phenyl-2H-imidazol-2-ide;tris(iridium);bis(iridium(3+));3-(3H-isoquinolin-3-id-4-yl)-1,2-benzoxazole;4-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-4-id-1-yl]pyridine;4-methyl-2-(3-methylbenzene-6-id-1-yl)pyridine;3-phenyl-1,2-benzoxazole;3-phenyl-4,6-di(propan-2-yl)-1,2-benzothiazole;4-phenylpyridine-2-carboxylic acid;3-(2,3,4,5-tetramethylbenzene-6-id-1-yl)-1,2-benzothiazole;4,5,6,7-tetramethyl-3-phenyl-1,2-benzoxazole.

What is the SMILES notation for 1-cyclohexyl-3-phenyl-2H-imidazol-2-ide;tris(iridium);bis(iridium(3+));3-(3H-isoquinolin-3-id-4-yl)-1,2-benzoxazole;4-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-4-id-1-yl]pyridine;4-methyl-2-(3-methylbenzene-6-id-1-yl)pyridine;3-phenyl-1,2-benzoxazole;3-phenyl-4,6-di(propan-2-yl)-1,2-benzothiazole;4-phenylpyridine-2-carboxylic acid;3-(2,3,4,5-tetramethylbenzene-6-id-1-yl)-1,2-benzothiazole;4,5,6,7-tetramethyl-3-phenyl-1,2-benzoxazole?

The canonical SMILES for 1-cyclohexyl-3-phenyl-2H-imidazol-2-ide;tris(iridium);bis(iridium(3+));3-(3H-isoquinolin-3-id-4-yl)-1,2-benzoxazole;4-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-4-id-1-yl]pyridine;4-methyl-2-(3-methylbenzene-6-id-1-yl)pyridine;3-phenyl-1,2-benzoxazole;3-phenyl-4,6-di(propan-2-yl)-1,2-benzothiazole;4-phenylpyridine-2-carboxylic acid;3-(2,3,4,5-tetramethylbenzene-6-id-1-yl)-1,2-benzothiazole;4,5,6,7-tetramethyl-3-phenyl-1,2-benzoxazole is CC(C)c1cc(C(C)C)c2c(-c3[c-]cccc3)nsc2c1.CN1C=CN(c2[c-]ccc(-c3ccncc3)c2)[CH-]1.Cc1[c-]c(-c2nsc3ccccc23)c(C)c(C)c1C.Cc1c(C)c(C)c2c(-c3[c-]cccc3)noc2c1C.Cc1cc[c-]c(-c2cc(C)ccn2)c1.O=C(O)c1cc(-c2ccccc2)ccn1.[Ir+3].[Ir+3].[Ir].[Ir].[Ir].[c-]1ccccc1-c1noc2ccccc12.[c-]1ccccc1N1C=CN(C2CCCCC2)[CH-]1.[c-]1ncc2ccccc2c1-c1noc2ccccc12.

What is the InChIKey of 1-cyclohexyl-3-phenyl-2H-imidazol-2-ide;tris(iridium);bis(iridium(3+));3-(3H-isoquinolin-3-id-4-yl)-1,2-benzoxazole;4-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-4-id-1-yl]pyridine;4-methyl-2-(3-methylbenzene-6-id-1-yl)pyridine;3-phenyl-1,2-benzoxazole;3-phenyl-4,6-di(propan-2-yl)-1,2-benzothiazole;4-phenylpyridine-2-carboxylic acid;3-(2,3,4,5-tetramethylbenzene-6-id-1-yl)-1,2-benzothiazole;4,5,6,7-tetramethyl-3-phenyl-1,2-benzoxazole?

The InChIKey is VKXPTKFLSZXMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20NS.C17H16NO.C17H16NS.C16H9N2O.C15H13N3.C15H18N2.C13H8NO.C13H12N.C12H9NO2.5Ir/c1-12(2)15-10-16(13(3)4)18-17(11-15)21-20-19(18)14-8-6-5-7-9-14;1-10-11(2)13(4)17-15(12(10)3)16(18-19-17)14-8-6-5-7-9-14;1-10-9-15(13(4)12(3)11(10)2)17-14-7-5-6-8-16(14)19-18-17;1-2-6-12-11(5-1)9-17-10-14(12)16-13-7-3-4-8-15(13)19-18-16;1-17-9-10-18(12-17)15-4-2-3-14(11-15)13-5-7-16-8-6-13;1-3-7-14(8-4-1)16-11-12-17(13-16)15-9-5-2-6-10-15;1-2-6-10(7-3-1)13-11-8-4-5-9-12(11)15-14-13;1-10-4-3-5-12(8-10)13-9-11(2)6-7-14-13;14-12(15)11-8-10(6-7-13-11)9-4-2-1-3-5-9;;;;;/h5-8,10-13H,1-4H3;2*5-8H,1-4H3;1-9H;2-3,5-12H,1H3;1,3-4,7,11-13,15H,2,5-6,9-10H2;1-6,8-9H;3-4,6-9H,1-2H3;1-8H,(H,14,15);;;;;/q4*-1;2*-2;2*-1;;;;;2*+3.

What are the key properties of 1-cyclohexyl-3-phenyl-2H-imidazol-2-ide;tris(iridium);bis(iridium(3+));3-(3H-isoquinolin-3-id-4-yl)-1,2-benzoxazole;4-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-4-id-1-yl]pyridine;4-methyl-2-(3-methylbenzene-6-id-1-yl)pyridine;3-phenyl-1,2-benzoxazole;3-phenyl-4,6-di(propan-2-yl)-1,2-benzothiazole;4-phenylpyridine-2-carboxylic acid;3-(2,3,4,5-tetramethylbenzene-6-id-1-yl)-1,2-benzothiazole;4,5,6,7-tetramethyl-3-phenyl-1,2-benzoxazole?

1-cyclohexyl-3-phenyl-2H-imidazol-2-ide;tris(iridium);bis(iridium(3+));3-(3H-isoquinolin-3-id-4-yl)-1,2-benzoxazole;4-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-4-id-1-yl]pyridine;4-methyl-2-(3-methylbenzene-6-id-1-yl)pyridine;3-phenyl-1,2-benzoxazole;3-phenyl-4,6-di(propan-2-yl)-1,2-benzothiazole;4-phenylpyridine-2-carboxylic acid;3-(2,3,4,5-tetramethylbenzene-6-id-1-yl)-1,2-benzothiazole;4,5,6,7-tetramethyl-3-phenyl-1,2-benzoxazole has a molecular weight of 3054.78 g/mol, XLogP of 34.70, 14 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclohexyl-3-phenyl-2H-imidazol-2-ide;tris(iridium);bis(iridium(3+));3-(3H-isoquinolin-3-id-4-yl)-1,2-benzoxazole;4-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-4-id-1-yl]pyridine;4-methyl-2-(3-methylbenzene-6-id-1-yl)pyridine;3-phenyl-1,2-benzoxazole;3-phenyl-4,6-di(propan-2-yl)-1,2-benzothiazole;4-phenylpyridine-2-carboxylic acid;3-(2,3,4,5-tetramethylbenzene-6-id-1-yl)-1,2-benzothiazole;4,5,6,7-tetramethyl-3-phenyl-1,2-benzoxazole is sourced from PubChem (CID 159632390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).