9-cyclopentyl-1-pyridin-2-yl-2H-carbazol-2-ide;2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;2-(3H-dibenzothiophen-3-id-4-yl)-4-propan-2-ylpyridine;2-(10,10-dimethyl-2H-benzo[b][1,4]benzoxasilin-2-id-1-yl)pyridine;2-(9,9-dimethyl-2H-fluoren-2-id-1-yl)-4,5-dimethylpyridine;4-(4,5-dimethyl-2-pyridinyl)-6,7-dimethyl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;6,7-dimethyl-4-pyridin-2-yl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;2-(9,9-dimethyl-2H-xanthen-2-id-1-yl)pyridine;pentakis(iridium);3,4,5,6-tetramethylpyridine-2-carboxylic acid

C189H158Ir5N13O9SSi-9 — CID 158516599

About 9-cyclopentyl-1-pyridin-2-yl-2H-carbazol-2-ide;2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;2-(3H-dibenzothiophen-3-id-4-yl)-4-propan-2-ylpyridine;2-(10,10-dimethyl-2H-benzo[b][1,4]benzoxasilin-2-id-1-yl)pyridine;2-(9,9-dimethyl-2H-fluoren-2-id-1-yl)-4,5-dimethylpyridine;4-(4,5-dimethyl-2-pyridinyl)-6,7-dimethyl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;6,7-dimethyl-4-pyridin-2-yl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;2-(9,9-dimethyl-2H-xanthen-2-id-1-yl)pyridine;pentakis(iridium);3,4,5,6-tetramethylpyridine-2-carboxylic acid

9-cyclopentyl-1-pyridin-2-yl-2H-carbazol-2-ide;2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;2-(3H-dibenzothiophen-3-id-4-yl)-4-propan-2-ylpyridine;2-(10,10-dimethyl-2H-benzo[b][1,4]benzoxasilin-2-id-1-yl)pyridine;2-(9,9-dimethyl-2H-fluoren-2-id-1-yl)-4,5-dimethylpyridine;4-(4,5-dimethyl-2-pyridinyl)-6,7-dimethyl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;6,7-dimethyl-4-pyridin-2-yl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;2-(9,9-dimethyl-2H-xanthen-2-id-1-yl)pyridine;pentakis(iridium);3,4,5,6-tetramethylpyridine-2-carboxylic acid (PubChem CID 158516599) has the molecular formula C189H158Ir5N13O9SSi-9 and a molecular weight of 3782.70 g/mol. Its IUPAC name is 9-cyclopentyl-1-pyridin-2-yl-2H-carbazol-2-ide;2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;2-(3H-dibenzothiophen-3-id-4-yl)-4-propan-2-ylpyridine;2-(10,10-dimethyl-2H-benzo[b][1,4]benzoxasilin-2-id-1-yl)pyridine;2-(9,9-dimethyl-2H-fluoren-2-id-1-yl)-4,5-dimethylpyridine;4-(4,5-dimethyl-2-pyridinyl)-6,7-dimethyl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;6,7-dimethyl-4-pyridin-2-yl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;2-(9,9-dimethyl-2H-xanthen-2-id-1-yl)pyridine;pentakis(iridium);3,4,5,6-tetramethylpyridine-2-carboxylic acid.

Molecular Properties

• Compound Name: 9-cyclopentyl-1-pyridin-2-yl-2H-carbazol-2-ide;2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;2-(3H-dibenzothiophen-3-id-4-yl)-4-propan-2-ylpyridine;2-(10,10-dimethyl-2H-benzo[b][1,4]benzoxasilin-2-id-1-yl)pyridine;2-(9,9-dimethyl-2H-fluoren-2-id-1-yl)-4,5-dimethylpyridine;4-(4,5-dimethyl-2-pyridinyl)-6,7-dimethyl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;6,7-dimethyl-4-pyridin-2-yl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;2-(9,9-dimethyl-2H-xanthen-2-id-1-yl)pyridine;pentakis(iridium);3,4,5,6-tetramethylpyridine-2-carboxylic acid
• PubChem CID: 158516599
• Molecular Formula: C189H158Ir5N13O9SSi-9
• Molecular Weight: 3782.70 g/mol
• Exact Mass: 3784.04
• IUPAC Name: 9-cyclopentyl-1-pyridin-2-yl-2H-carbazol-2-ide;2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;2-(3H-dibenzothiophen-3-id-4-yl)-4-propan-2-ylpyridine;2-(10,10-dimethyl-2H-benzo[b][1,4]benzoxasilin-2-id-1-yl)pyridine;2-(9,9-dimethyl-2H-fluoren-2-id-1-yl)-4,5-dimethylpyridine;4-(4,5-dimethyl-2-pyridinyl)-6,7-dimethyl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;6,7-dimethyl-4-pyridin-2-yl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;2-(9,9-dimethyl-2H-xanthen-2-id-1-yl)pyridine;pentakis(iridium);3,4,5,6-tetramethylpyridine-2-carboxylic acid
• SMILES: CC(C)c1ccnc(-c2[c-]ccc3c2sc2ccccc23)c1.CC1(C)c2ccccc2Oc2cc[c-]c(-c3ccccn3)c21.C[Si]1(C)c2ccccc2Oc2cc[c-]c(-c3ccccn3)c21.Cc1cnc(-c2[c-]ccc3c2C(C)(C)c2ccccc2-3)cc1C.Cc1nc(C(=O)O)c(C)c(C)c1C.[2H]C([2H])([2H])N1c2cc[c-]c(-c3cc(C)c(C)cn3)c2Oc2c1ccc(C)c2C.[2H]C([2H])([2H])N1c2cc[c-]c(-c3ccccn3)c2Oc2c1ccc(C)c2C.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(c1-c1ccccn1)Oc1ccccc1O2.[c-]1ccc2c(oc3ccccc32)c1-c1ccccn1.[c-]1ccc2c3ccccc3n(C3CCCC3)c2c1-c1ccccn1
• InChI: InChI=1S/C22H21N2O.C22H19N2.C22H20N.C20H17N2O.C20H16NO.C20H16NS.C19H16NOSi.C17H10NO2.C17H10NO.C10H13NO2.5Ir/c1-13-9-10-20-21(16(13)4)25-22-17(7-6-8-19(22)24(20)5)18-11-14(2)15(3)12-23-18;1-2-9-16(8-1)24-21-14-4-3-10-17(21)18-11-7-12-19(22(18)24)20-13-5-6-15-23-20;1-14-12-20(23-13-15(14)2)18-10-7-9-17-16-8-5-6-11-19(16)22(3,4)21(17)18;1-13-10-11-18-19(14(13)2)23-20-15(16-8-4-5-12-21-16)7-6-9-17(20)22(18)3;1-20(2)15-9-3-4-11-17(15)22-18-12-7-8-14(19(18)20)16-10-5-6-13-21-16;1-13(2)14-10-11-21-18(12-14)17-8-5-7-16-15-6-3-4-9-19(15)22-20(16)17;1-22(2)18-12-4-3-10-16(18)21-17-11-7-8-14(19(17)22)15-9-5-6-13-20-15;1-2-9-15-14(8-1)19-16-10-5-6-12(17(16)20-15)13-7-3-4-11-18-13;1-2-10-16-12(6-1)13-7-5-8-14(17(13)19-16)15-9-3-4-11-18-15;1-5-6(2)8(4)11-9(7(5)3)10(12)13;;;;;/h6,8-12H,1-5H3;3-7,10-11,13-16H,1-2,8-9H2;5-9,11-13H,1-4H3;4-6,8-12H,1-3H3;3*3-7,9-13H,1-2H3;1-5,7-11H;1-7,9-11H;1-4H3,(H,12,13);;;;;/q9*-1;;;;;;/i5D3;;;3D3
• InChIKey: XMBABCOPJLSKCR-UNOYIQDCSA-N
• XLogP: 47.33
• TPSA: 246.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 22
• Rotatable Bonds: 14
• Heavy Atoms: 218
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3782.70
LogP ≤ 5	47.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	22

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 9-cyclopentyl-1-pyridin-2-yl-2H-carbazol-2-ide;2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;2-(3H-dibenzothiophen-3-id-4-yl)-4-propan-2-ylpyridine;2-(10,10-dimethyl-2H-benzo[b][1,4]benzoxasilin-2-id-1-yl)pyridine;2-(9,9-dimethyl-2H-fluoren-2-id-1-yl)-4,5-dimethylpyridine;4-(4,5-dimethyl-2-pyridinyl)-6,7-dimethyl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;6,7-dimethyl-4-pyridin-2-yl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;2-(9,9-dimethyl-2H-xanthen-2-id-1-yl)pyridine;pentakis(iridium);3,4,5,6-tetramethylpyridine-2-carboxylic acid?

The IUPAC name of 9-cyclopentyl-1-pyridin-2-yl-2H-carbazol-2-ide;2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;2-(3H-dibenzothiophen-3-id-4-yl)-4-propan-2-ylpyridine;2-(10,10-dimethyl-2H-benzo[b][1,4]benzoxasilin-2-id-1-yl)pyridine;2-(9,9-dimethyl-2H-fluoren-2-id-1-yl)-4,5-dimethylpyridine;4-(4,5-dimethyl-2-pyridinyl)-6,7-dimethyl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;6,7-dimethyl-4-pyridin-2-yl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;2-(9,9-dimethyl-2H-xanthen-2-id-1-yl)pyridine;pentakis(iridium);3,4,5,6-tetramethylpyridine-2-carboxylic acid (CID 158516599) is 9-cyclopentyl-1-pyridin-2-yl-2H-carbazol-2-ide;2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;2-(3H-dibenzothiophen-3-id-4-yl)-4-propan-2-ylpyridine;2-(10,10-dimethyl-2H-benzo[b][1,4]benzoxasilin-2-id-1-yl)pyridine;2-(9,9-dimethyl-2H-fluoren-2-id-1-yl)-4,5-dimethylpyridine;4-(4,5-dimethyl-2-pyridinyl)-6,7-dimethyl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;6,7-dimethyl-4-pyridin-2-yl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;2-(9,9-dimethyl-2H-xanthen-2-id-1-yl)pyridine;pentakis(iridium);3,4,5,6-tetramethylpyridine-2-carboxylic acid.

What is the SMILES notation for 9-cyclopentyl-1-pyridin-2-yl-2H-carbazol-2-ide;2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;2-(3H-dibenzothiophen-3-id-4-yl)-4-propan-2-ylpyridine;2-(10,10-dimethyl-2H-benzo[b][1,4]benzoxasilin-2-id-1-yl)pyridine;2-(9,9-dimethyl-2H-fluoren-2-id-1-yl)-4,5-dimethylpyridine;4-(4,5-dimethyl-2-pyridinyl)-6,7-dimethyl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;6,7-dimethyl-4-pyridin-2-yl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;2-(9,9-dimethyl-2H-xanthen-2-id-1-yl)pyridine;pentakis(iridium);3,4,5,6-tetramethylpyridine-2-carboxylic acid?

The canonical SMILES for 9-cyclopentyl-1-pyridin-2-yl-2H-carbazol-2-ide;2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;2-(3H-dibenzothiophen-3-id-4-yl)-4-propan-2-ylpyridine;2-(10,10-dimethyl-2H-benzo[b][1,4]benzoxasilin-2-id-1-yl)pyridine;2-(9,9-dimethyl-2H-fluoren-2-id-1-yl)-4,5-dimethylpyridine;4-(4,5-dimethyl-2-pyridinyl)-6,7-dimethyl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;6,7-dimethyl-4-pyridin-2-yl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;2-(9,9-dimethyl-2H-xanthen-2-id-1-yl)pyridine;pentakis(iridium);3,4,5,6-tetramethylpyridine-2-carboxylic acid is CC(C)c1ccnc(-c2[c-]ccc3c2sc2ccccc23)c1.CC1(C)c2ccccc2Oc2cc[c-]c(-c3ccccn3)c21.C[Si]1(C)c2ccccc2Oc2cc[c-]c(-c3ccccn3)c21.Cc1cnc(-c2[c-]ccc3c2C(C)(C)c2ccccc2-3)cc1C.Cc1nc(C(=O)O)c(C)c(C)c1C.[2H]C([2H])([2H])N1c2cc[c-]c(-c3cc(C)c(C)cn3)c2Oc2c1ccc(C)c2C.[2H]C([2H])([2H])N1c2cc[c-]c(-c3ccccn3)c2Oc2c1ccc(C)c2C.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(c1-c1ccccn1)Oc1ccccc1O2.[c-]1ccc2c(oc3ccccc32)c1-c1ccccn1.[c-]1ccc2c3ccccc3n(C3CCCC3)c2c1-c1ccccn1.

What is the InChIKey of 9-cyclopentyl-1-pyridin-2-yl-2H-carbazol-2-ide;2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;2-(3H-dibenzothiophen-3-id-4-yl)-4-propan-2-ylpyridine;2-(10,10-dimethyl-2H-benzo[b][1,4]benzoxasilin-2-id-1-yl)pyridine;2-(9,9-dimethyl-2H-fluoren-2-id-1-yl)-4,5-dimethylpyridine;4-(4,5-dimethyl-2-pyridinyl)-6,7-dimethyl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;6,7-dimethyl-4-pyridin-2-yl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;2-(9,9-dimethyl-2H-xanthen-2-id-1-yl)pyridine;pentakis(iridium);3,4,5,6-tetramethylpyridine-2-carboxylic acid?

The InChIKey is XMBABCOPJLSKCR-UNOYIQDCSA-N. The full InChI is InChI=1S/C22H21N2O.C22H19N2.C22H20N.C20H17N2O.C20H16NO.C20H16NS.C19H16NOSi.C17H10NO2.C17H10NO.C10H13NO2.5Ir/c1-13-9-10-20-21(16(13)4)25-22-17(7-6-8-19(22)24(20)5)18-11-14(2)15(3)12-23-18;1-2-9-16(8-1)24-21-14-4-3-10-17(21)18-11-7-12-19(22(18)24)20-13-5-6-15-23-20;1-14-12-20(23-13-15(14)2)18-10-7-9-17-16-8-5-6-11-19(16)22(3,4)21(17)18;1-13-10-11-18-19(14(13)2)23-20-15(16-8-4-5-12-21-16)7-6-9-17(20)22(18)3;1-20(2)15-9-3-4-11-17(15)22-18-12-7-8-14(19(18)20)16-10-5-6-13-21-16;1-13(2)14-10-11-21-18(12-14)17-8-5-7-16-15-6-3-4-9-19(15)22-20(16)17;1-22(2)18-12-4-3-10-16(18)21-17-11-7-8-14(19(17)22)15-9-5-6-13-20-15;1-2-9-15-14(8-1)19-16-10-5-6-12(17(16)20-15)13-7-3-4-11-18-13;1-2-10-16-12(6-1)13-7-5-8-14(17(13)19-16)15-9-3-4-11-18-15;1-5-6(2)8(4)11-9(7(5)3)10(12)13;;;;;/h6,8-12H,1-5H3;3-7,10-11,13-16H,1-2,8-9H2;5-9,11-13H,1-4H3;4-6,8-12H,1-3H3;3*3-7,9-13H,1-2H3;1-5,7-11H;1-7,9-11H;1-4H3,(H,12,13);;;;;/q9*-1;;;;;;/i5D3;;;3D3;;;;;;;;;;;.

What are the key properties of 9-cyclopentyl-1-pyridin-2-yl-2H-carbazol-2-ide;2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;2-(3H-dibenzothiophen-3-id-4-yl)-4-propan-2-ylpyridine;2-(10,10-dimethyl-2H-benzo[b][1,4]benzoxasilin-2-id-1-yl)pyridine;2-(9,9-dimethyl-2H-fluoren-2-id-1-yl)-4,5-dimethylpyridine;4-(4,5-dimethyl-2-pyridinyl)-6,7-dimethyl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;6,7-dimethyl-4-pyridin-2-yl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;2-(9,9-dimethyl-2H-xanthen-2-id-1-yl)pyridine;pentakis(iridium);3,4,5,6-tetramethylpyridine-2-carboxylic acid?

9-cyclopentyl-1-pyridin-2-yl-2H-carbazol-2-ide;2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;2-(3H-dibenzothiophen-3-id-4-yl)-4-propan-2-ylpyridine;2-(10,10-dimethyl-2H-benzo[b][1,4]benzoxasilin-2-id-1-yl)pyridine;2-(9,9-dimethyl-2H-fluoren-2-id-1-yl)-4,5-dimethylpyridine;4-(4,5-dimethyl-2-pyridinyl)-6,7-dimethyl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;6,7-dimethyl-4-pyridin-2-yl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;2-(9,9-dimethyl-2H-xanthen-2-id-1-yl)pyridine;pentakis(iridium);3,4,5,6-tetramethylpyridine-2-carboxylic acid has a molecular weight of 3782.70 g/mol, XLogP of 47.33, 14 rotatable bonds, 1 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 9-cyclopentyl-1-pyridin-2-yl-2H-carbazol-2-ide;2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;2-(3H-dibenzothiophen-3-id-4-yl)-4-propan-2-ylpyridine;2-(10,10-dimethyl-2H-benzo[b][1,4]benzoxasilin-2-id-1-yl)pyridine;2-(9,9-dimethyl-2H-fluoren-2-id-1-yl)-4,5-dimethylpyridine;4-(4,5-dimethyl-2-pyridinyl)-6,7-dimethyl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;6,7-dimethyl-4-pyridin-2-yl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;2-(9,9-dimethyl-2H-xanthen-2-id-1-yl)pyridine;pentakis(iridium);3,4,5,6-tetramethylpyridine-2-carboxylic acid is sourced from PubChem (CID 158516599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).