2-(5,5-dimethyl-8-pyridin-3-yl-3H-benzo[b][1]benzosilol-3-id-4-yl)pyridine;tetrakis(iridium);iridium(3+);1-methyl-3-(3-propan-2-ylbenzene-6-id-1-yl)-2H-benzimidazol-2-ide;1-(4-methyl-2-pyridinyl)-9-pyridin-2-yl-2H-carbazol-2-ide;3-(3H-phenanthren-3-id-2-yl)-1,2-benzothiazole;3-phenyl-1,2-benzothiazole;3-(2H-pyridin-2-id-3-yl)-1,2-benzothiazole;bis(3-(2H-pyridin-2-id-3-yl)-[1,2]oxazolo[4,5-c]pyridine);2-(2,3,4,5-tetramethylbenzene-6-id-1-yl)pyridine;2,3,4,5-tetramethyl-6-phenylpyridine

C162H124Ir5N19O2S3Si-8 — CID 158583620

About 2-(5,5-dimethyl-8-pyridin-3-yl-3H-benzo[b][1]benzosilol-3-id-4-yl)pyridine;tetrakis(iridium);iridium(3+);1-methyl-3-(3-propan-2-ylbenzene-6-id-1-yl)-2H-benzimidazol-2-ide;1-(4-methyl-2-pyridinyl)-9-pyridin-2-yl-2H-carbazol-2-ide;3-(3H-phenanthren-3-id-2-yl)-1,2-benzothiazole;3-phenyl-1,2-benzothiazole;3-(2H-pyridin-2-id-3-yl)-1,2-benzothiazole;bis(3-(2H-pyridin-2-id-3-yl)-[1,2]oxazolo[4,5-c]pyridine);2-(2,3,4,5-tetramethylbenzene-6-id-1-yl)pyridine;2,3,4,5-tetramethyl-6-phenylpyridine

2-(5,5-dimethyl-8-pyridin-3-yl-3H-benzo[b][1]benzosilol-3-id-4-yl)pyridine;tetrakis(iridium);iridium(3+);1-methyl-3-(3-propan-2-ylbenzene-6-id-1-yl)-2H-benzimidazol-2-ide;1-(4-methyl-2-pyridinyl)-9-pyridin-2-yl-2H-carbazol-2-ide;3-(3H-phenanthren-3-id-2-yl)-1,2-benzothiazole;3-phenyl-1,2-benzothiazole;3-(2H-pyridin-2-id-3-yl)-1,2-benzothiazole;bis(3-(2H-pyridin-2-id-3-yl)-[1,2]oxazolo[4,5-c]pyridine);2-(2,3,4,5-tetramethylbenzene-6-id-1-yl)pyridine;2,3,4,5-tetramethyl-6-phenylpyridine (PubChem CID 158583620) has the molecular formula C162H124Ir5N19O2S3Si-8 and a molecular weight of 3454.28 g/mol. Its IUPAC name is 2-(5,5-dimethyl-8-pyridin-3-yl-3H-benzo[b][1]benzosilol-3-id-4-yl)pyridine;tetrakis(iridium);iridium(3+);1-methyl-3-(3-propan-2-ylbenzene-6-id-1-yl)-2H-benzimidazol-2-ide;1-(4-methyl-2-pyridinyl)-9-pyridin-2-yl-2H-carbazol-2-ide;3-(3H-phenanthren-3-id-2-yl)-1,2-benzothiazole;3-phenyl-1,2-benzothiazole;3-(2H-pyridin-2-id-3-yl)-1,2-benzothiazole;bis(3-(2H-pyridin-2-id-3-yl)-[1,2]oxazolo[4,5-c]pyridine);2-(2,3,4,5-tetramethylbenzene-6-id-1-yl)pyridine;2,3,4,5-tetramethyl-6-phenylpyridine.

Molecular Properties

• Compound Name: 2-(5,5-dimethyl-8-pyridin-3-yl-3H-benzo[b][1]benzosilol-3-id-4-yl)pyridine;tetrakis(iridium);iridium(3+);1-methyl-3-(3-propan-2-ylbenzene-6-id-1-yl)-2H-benzimidazol-2-ide;1-(4-methyl-2-pyridinyl)-9-pyridin-2-yl-2H-carbazol-2-ide;3-(3H-phenanthren-3-id-2-yl)-1,2-benzothiazole;3-phenyl-1,2-benzothiazole;3-(2H-pyridin-2-id-3-yl)-1,2-benzothiazole;bis(3-(2H-pyridin-2-id-3-yl)-[1,2]oxazolo[4,5-c]pyridine);2-(2,3,4,5-tetramethylbenzene-6-id-1-yl)pyridine;2,3,4,5-tetramethyl-6-phenylpyridine
• PubChem CID: 158583620
• Molecular Formula: C162H124Ir5N19O2S3Si-8
• Molecular Weight: 3454.28 g/mol
• Exact Mass: 3455.73
• IUPAC Name: 2-(5,5-dimethyl-8-pyridin-3-yl-3H-benzo[b][1]benzosilol-3-id-4-yl)pyridine;tetrakis(iridium);iridium(3+);1-methyl-3-(3-propan-2-ylbenzene-6-id-1-yl)-2H-benzimidazol-2-ide;1-(4-methyl-2-pyridinyl)-9-pyridin-2-yl-2H-carbazol-2-ide;3-(3H-phenanthren-3-id-2-yl)-1,2-benzothiazole;3-phenyl-1,2-benzothiazole;3-(2H-pyridin-2-id-3-yl)-1,2-benzothiazole;bis(3-(2H-pyridin-2-id-3-yl)-[1,2]oxazolo[4,5-c]pyridine);2-(2,3,4,5-tetramethylbenzene-6-id-1-yl)pyridine;2,3,4,5-tetramethyl-6-phenylpyridine
• SMILES: CC(C)c1cc[c-]c(N2[CH-]N(C)c3ccccc32)c1.C[Si]1(C)c2ccc(-c3cccnc3)cc2-c2cc[c-]c(-c3ccccn3)c21.Cc1[c-]c(-c2ccccn2)c(C)c(C)c1C.Cc1ccnc(-c2[c-]ccc3c4ccccc4n(-c4ccccn4)c23)c1.Cc1nc(-c2[c-]cccc2)c(C)c(C)c1C.[Ir+3].[Ir].[Ir].[Ir].[Ir].[c-]1cc2c(ccc3ccccc32)cc1-c1nsc2ccccc12.[c-]1ccccc1-c1nsc2ccccc12.[c-]1ncccc1-c1noc2ccncc12.[c-]1ncccc1-c1noc2ccncc12.[c-]1ncccc1-c1nsc2ccccc12
• InChI: InChI=1S/C24H19N2Si.C23H16N3.C21H12NS.C17H18N2.2C15H16N.C13H8NS.C12H7N2S.2C11H6N3O.5Ir/c1-27(2)23-12-11-17(18-7-6-13-25-16-18)15-21(23)19-8-5-9-20(24(19)27)22-10-3-4-14-26-22;1-16-12-14-24-20(15-16)19-9-6-8-18-17-7-2-3-10-21(17)26(23(18)19)22-11-4-5-13-25-22;1-2-6-17-14(5-1)9-10-15-13-16(11-12-18(15)17)21-19-7-3-4-8-20(19)23-22-21;1-13(2)14-7-6-8-15(11-14)19-12-18(3)16-9-4-5-10-17(16)19;1-10-9-14(13(4)12(3)11(10)2)15-7-5-6-8-16-15;1-10-11(2)13(4)16-15(12(10)3)14-8-6-5-7-9-14;1-2-6-10(7-3-1)13-11-8-4-5-9-12(11)15-14-13;1-2-6-11-10(5-1)12(14-15-11)9-4-3-7-13-8-9;2*1-2-8(6-12-4-1)11-9-7-13-5-3-10(9)15-14-11;;;;;/h3-8,10-16H,1-2H3;2-8,10-15H,1H3;1-10,12-13H;4-7,9-13H,1-3H3;2*5-8H,1-4H3;1-6,8-9H;1-7H;2*1-5,7H;;;;;/q3*-1;-2;6*-1;;;;;+3
• InChIKey: SQERHZNHIXOYTF-UHFFFAOYSA-N
• XLogP: 38.79
• TPSA: 243.93 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 13
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3454.28
LogP ≤ 5	38.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(5,5-dimethyl-8-pyridin-3-yl-3H-benzo[b][1]benzosilol-3-id-4-yl)pyridine;tetrakis(iridium);iridium(3+);1-methyl-3-(3-propan-2-ylbenzene-6-id-1-yl)-2H-benzimidazol-2-ide;1-(4-methyl-2-pyridinyl)-9-pyridin-2-yl-2H-carbazol-2-ide;3-(3H-phenanthren-3-id-2-yl)-1,2-benzothiazole;3-phenyl-1,2-benzothiazole;3-(2H-pyridin-2-id-3-yl)-1,2-benzothiazole;bis(3-(2H-pyridin-2-id-3-yl)-[1,2]oxazolo[4,5-c]pyridine);2-(2,3,4,5-tetramethylbenzene-6-id-1-yl)pyridine;2,3,4,5-tetramethyl-6-phenylpyridine?

The IUPAC name of 2-(5,5-dimethyl-8-pyridin-3-yl-3H-benzo[b][1]benzosilol-3-id-4-yl)pyridine;tetrakis(iridium);iridium(3+);1-methyl-3-(3-propan-2-ylbenzene-6-id-1-yl)-2H-benzimidazol-2-ide;1-(4-methyl-2-pyridinyl)-9-pyridin-2-yl-2H-carbazol-2-ide;3-(3H-phenanthren-3-id-2-yl)-1,2-benzothiazole;3-phenyl-1,2-benzothiazole;3-(2H-pyridin-2-id-3-yl)-1,2-benzothiazole;bis(3-(2H-pyridin-2-id-3-yl)-[1,2]oxazolo[4,5-c]pyridine);2-(2,3,4,5-tetramethylbenzene-6-id-1-yl)pyridine;2,3,4,5-tetramethyl-6-phenylpyridine (CID 158583620) is 2-(5,5-dimethyl-8-pyridin-3-yl-3H-benzo[b][1]benzosilol-3-id-4-yl)pyridine;tetrakis(iridium);iridium(3+);1-methyl-3-(3-propan-2-ylbenzene-6-id-1-yl)-2H-benzimidazol-2-ide;1-(4-methyl-2-pyridinyl)-9-pyridin-2-yl-2H-carbazol-2-ide;3-(3H-phenanthren-3-id-2-yl)-1,2-benzothiazole;3-phenyl-1,2-benzothiazole;3-(2H-pyridin-2-id-3-yl)-1,2-benzothiazole;bis(3-(2H-pyridin-2-id-3-yl)-[1,2]oxazolo[4,5-c]pyridine);2-(2,3,4,5-tetramethylbenzene-6-id-1-yl)pyridine;2,3,4,5-tetramethyl-6-phenylpyridine.

What is the SMILES notation for 2-(5,5-dimethyl-8-pyridin-3-yl-3H-benzo[b][1]benzosilol-3-id-4-yl)pyridine;tetrakis(iridium);iridium(3+);1-methyl-3-(3-propan-2-ylbenzene-6-id-1-yl)-2H-benzimidazol-2-ide;1-(4-methyl-2-pyridinyl)-9-pyridin-2-yl-2H-carbazol-2-ide;3-(3H-phenanthren-3-id-2-yl)-1,2-benzothiazole;3-phenyl-1,2-benzothiazole;3-(2H-pyridin-2-id-3-yl)-1,2-benzothiazole;bis(3-(2H-pyridin-2-id-3-yl)-[1,2]oxazolo[4,5-c]pyridine);2-(2,3,4,5-tetramethylbenzene-6-id-1-yl)pyridine;2,3,4,5-tetramethyl-6-phenylpyridine?

The canonical SMILES for 2-(5,5-dimethyl-8-pyridin-3-yl-3H-benzo[b][1]benzosilol-3-id-4-yl)pyridine;tetrakis(iridium);iridium(3+);1-methyl-3-(3-propan-2-ylbenzene-6-id-1-yl)-2H-benzimidazol-2-ide;1-(4-methyl-2-pyridinyl)-9-pyridin-2-yl-2H-carbazol-2-ide;3-(3H-phenanthren-3-id-2-yl)-1,2-benzothiazole;3-phenyl-1,2-benzothiazole;3-(2H-pyridin-2-id-3-yl)-1,2-benzothiazole;bis(3-(2H-pyridin-2-id-3-yl)-[1,2]oxazolo[4,5-c]pyridine);2-(2,3,4,5-tetramethylbenzene-6-id-1-yl)pyridine;2,3,4,5-tetramethyl-6-phenylpyridine is CC(C)c1cc[c-]c(N2[CH-]N(C)c3ccccc32)c1.C[Si]1(C)c2ccc(-c3cccnc3)cc2-c2cc[c-]c(-c3ccccn3)c21.Cc1[c-]c(-c2ccccn2)c(C)c(C)c1C.Cc1ccnc(-c2[c-]ccc3c4ccccc4n(-c4ccccn4)c23)c1.Cc1nc(-c2[c-]cccc2)c(C)c(C)c1C.[Ir+3].[Ir].[Ir].[Ir].[Ir].[c-]1cc2c(ccc3ccccc32)cc1-c1nsc2ccccc12.[c-]1ccccc1-c1nsc2ccccc12.[c-]1ncccc1-c1noc2ccncc12.[c-]1ncccc1-c1noc2ccncc12.[c-]1ncccc1-c1nsc2ccccc12.

What is the InChIKey of 2-(5,5-dimethyl-8-pyridin-3-yl-3H-benzo[b][1]benzosilol-3-id-4-yl)pyridine;tetrakis(iridium);iridium(3+);1-methyl-3-(3-propan-2-ylbenzene-6-id-1-yl)-2H-benzimidazol-2-ide;1-(4-methyl-2-pyridinyl)-9-pyridin-2-yl-2H-carbazol-2-ide;3-(3H-phenanthren-3-id-2-yl)-1,2-benzothiazole;3-phenyl-1,2-benzothiazole;3-(2H-pyridin-2-id-3-yl)-1,2-benzothiazole;bis(3-(2H-pyridin-2-id-3-yl)-[1,2]oxazolo[4,5-c]pyridine);2-(2,3,4,5-tetramethylbenzene-6-id-1-yl)pyridine;2,3,4,5-tetramethyl-6-phenylpyridine?

The InChIKey is SQERHZNHIXOYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N2Si.C23H16N3.C21H12NS.C17H18N2.2C15H16N.C13H8NS.C12H7N2S.2C11H6N3O.5Ir/c1-27(2)23-12-11-17(18-7-6-13-25-16-18)15-21(23)19-8-5-9-20(24(19)27)22-10-3-4-14-26-22;1-16-12-14-24-20(15-16)19-9-6-8-18-17-7-2-3-10-21(17)26(23(18)19)22-11-4-5-13-25-22;1-2-6-17-14(5-1)9-10-15-13-16(11-12-18(15)17)21-19-7-3-4-8-20(19)23-22-21;1-13(2)14-7-6-8-15(11-14)19-12-18(3)16-9-4-5-10-17(16)19;1-10-9-14(13(4)12(3)11(10)2)15-7-5-6-8-16-15;1-10-11(2)13(4)16-15(12(10)3)14-8-6-5-7-9-14;1-2-6-10(7-3-1)13-11-8-4-5-9-12(11)15-14-13;1-2-6-11-10(5-1)12(14-15-11)9-4-3-7-13-8-9;2*1-2-8(6-12-4-1)11-9-7-13-5-3-10(9)15-14-11;;;;;/h3-8,10-16H,1-2H3;2-8,10-15H,1H3;1-10,12-13H;4-7,9-13H,1-3H3;2*5-8H,1-4H3;1-6,8-9H;1-7H;2*1-5,7H;;;;;/q3*-1;-2;6*-1;;;;;+3.

What are the key properties of 2-(5,5-dimethyl-8-pyridin-3-yl-3H-benzo[b][1]benzosilol-3-id-4-yl)pyridine;tetrakis(iridium);iridium(3+);1-methyl-3-(3-propan-2-ylbenzene-6-id-1-yl)-2H-benzimidazol-2-ide;1-(4-methyl-2-pyridinyl)-9-pyridin-2-yl-2H-carbazol-2-ide;3-(3H-phenanthren-3-id-2-yl)-1,2-benzothiazole;3-phenyl-1,2-benzothiazole;3-(2H-pyridin-2-id-3-yl)-1,2-benzothiazole;bis(3-(2H-pyridin-2-id-3-yl)-[1,2]oxazolo[4,5-c]pyridine);2-(2,3,4,5-tetramethylbenzene-6-id-1-yl)pyridine;2,3,4,5-tetramethyl-6-phenylpyridine?

2-(5,5-dimethyl-8-pyridin-3-yl-3H-benzo[b][1]benzosilol-3-id-4-yl)pyridine;tetrakis(iridium);iridium(3+);1-methyl-3-(3-propan-2-ylbenzene-6-id-1-yl)-2H-benzimidazol-2-ide;1-(4-methyl-2-pyridinyl)-9-pyridin-2-yl-2H-carbazol-2-ide;3-(3H-phenanthren-3-id-2-yl)-1,2-benzothiazole;3-phenyl-1,2-benzothiazole;3-(2H-pyridin-2-id-3-yl)-1,2-benzothiazole;bis(3-(2H-pyridin-2-id-3-yl)-[1,2]oxazolo[4,5-c]pyridine);2-(2,3,4,5-tetramethylbenzene-6-id-1-yl)pyridine;2,3,4,5-tetramethyl-6-phenylpyridine has a molecular weight of 3454.28 g/mol, XLogP of 38.79, 13 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5,5-dimethyl-8-pyridin-3-yl-3H-benzo[b][1]benzosilol-3-id-4-yl)pyridine;tetrakis(iridium);iridium(3+);1-methyl-3-(3-propan-2-ylbenzene-6-id-1-yl)-2H-benzimidazol-2-ide;1-(4-methyl-2-pyridinyl)-9-pyridin-2-yl-2H-carbazol-2-ide;3-(3H-phenanthren-3-id-2-yl)-1,2-benzothiazole;3-phenyl-1,2-benzothiazole;3-(2H-pyridin-2-id-3-yl)-1,2-benzothiazole;bis(3-(2H-pyridin-2-id-3-yl)-[1,2]oxazolo[4,5-c]pyridine);2-(2,3,4,5-tetramethylbenzene-6-id-1-yl)pyridine;2,3,4,5-tetramethyl-6-phenylpyridine is sourced from PubChem (CID 158583620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).