2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;6,7-dimethyl-4-pyridin-2-yl-10-(trideuteriomethyl)-3H-phenoselenazin-3-ide;2,4-diphenyl-6-(2-phenyl-4-pyridinyl)-1,3,5-triazine;tris(iridium);10-methyl-9,9-bis(4-methylphenyl)-4-pyridin-2-yl-3H-acridin-3-ide;5-(4-methylphenyl)pyridine-2-carboxylic acid;3,4,5,6-tetramethylpyridine-2-carboxylic acid

C119H95Ir3N11O6Se-4 — CID 159947767

IUPAC2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;6,7-dimethyl-4-pyridin-2-yl-10-(trideuteriomethyl)-3H-phenoselenazin-3-ide;2,4-diphenyl-6-(2-phenyl-4-pyridinyl)-1,3,5-triazine;tris(iridium);10-methyl-9,9-bis(4-methylphenyl)-4-pyridin-2-yl-3H-acridin-3-ide;5-(4-methylphenyl)pyridine-2-carboxylic acid;3,4,5,6-tetramethylpyridine-2-carboxylic acid
SMILESCc1ccc(-c2ccc(C(=O)O)nc2)cc1.Cc1ccc(C2(c3ccc(C)cc3)c3ccccc3N(C)c3c(-c4ccccn4)[c-]ccc32)cc1.Cc1nc(C(=O)O)c(C)c(C)c1C.[2H]C([2H])([2H])N1c2cc[c-]c(-c3ccccn3)c2[Se]c2c1ccc(C)c2C.[Ir].[Ir].[Ir].[c-]1ccc2c(c1-c1ccccn1)Oc1ccccc1O2.[c-]1ccccc1-c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccn1
InChIInChI=1S/C33H27N2.C26H17N4.C20H17N2Se.C17H10NO2.C13H11NO2.C10H13NO2.3Ir/c1-23-14-18-25(19-15-23)33(26-20-16-24(2)17-21-26)28-10-4-5-13-31(28)35(3)32-27(9-8-11-29(32)33)30-12-6-7-22-34-30;1-4-10-19(11-5-1)23-18-22(16-17-27-23)26-29-24(20-12-6-2-7-13-20)28-25(30-26)21-14-8-3-9-15-21;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;1-2-9-15-14(8-1)19-16-10-5-6-12(17(16)20-15)13-7-3-4-11-18-13;1-9-2-4-10(5-3-9)11-6-7-12(13(15)16)14-8-11;1-5-6(2)8(4)11-9(7(5)3)10(12)13;;;/h4-8,10-22H,1-3H3;1-10,12-18H;4-6,8-12H,1-3H3;1-5,7-11H;2-8H,1H3,(H,15,16);1-4H3,(H,12,13);;;/q4*-1;;;;;/i;;3D3;;;;;;
InChIKeyQPUVKRYCOIXVGU-YEPRSEKWSA-N
MW2433.77 g/mol
LogP25.47
Rot. Bonds13

About 2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;6,7-dimethyl-4-pyridin-2-yl-10-(trideuteriomethyl)-3H-phenoselenazin-3-ide;2,4-diphenyl-6-(2-phenyl-4-pyridinyl)-1,3,5-triazine;tris(iridium);10-methyl-9,9-bis(4-methylphenyl)-4-pyridin-2-yl-3H-acridin-3-ide;5-(4-methylphenyl)pyridine-2-carboxylic acid;3,4,5,6-tetramethylpyridine-2-carboxylic acid

2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;6,7-dimethyl-4-pyridin-2-yl-10-(trideuteriomethyl)-3H-phenoselenazin-3-ide;2,4-diphenyl-6-(2-phenyl-4-pyridinyl)-1,3,5-triazine;tris(iridium);10-methyl-9,9-bis(4-methylphenyl)-4-pyridin-2-yl-3H-acridin-3-ide;5-(4-methylphenyl)pyridine-2-carboxylic acid;3,4,5,6-tetramethylpyridine-2-carboxylic acid (PubChem CID 159947767) has the molecular formula C119H95Ir3N11O6Se-4 and a molecular weight of 2433.77 g/mol. Its IUPAC name is 2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;6,7-dimethyl-4-pyridin-2-yl-10-(trideuteriomethyl)-3H-phenoselenazin-3-ide;2,4-diphenyl-6-(2-phenyl-4-pyridinyl)-1,3,5-triazine;tris(iridium);10-methyl-9,9-bis(4-methylphenyl)-4-pyridin-2-yl-3H-acridin-3-ide;5-(4-methylphenyl)pyridine-2-carboxylic acid;3,4,5,6-tetramethylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;6,7-dimethyl-4-pyridin-2-yl-10-(trideuteriomethyl)-3H-phenoselenazin-3-ide;2,4-diphenyl-6-(2-phenyl-4-pyridinyl)-1,3,5-triazine;tris(iridium);10-methyl-9,9-bis(4-methylphenyl)-4-pyridin-2-yl-3H-acridin-3-ide;5-(4-methylphenyl)pyridine-2-carboxylic acid;3,4,5,6-tetramethylpyridine-2-carboxylic acid
PubChem CID159947767
Molecular FormulaC119H95Ir3N11O6Se-4
Molecular Weight2433.77 g/mol
Exact Mass2435.57
IUPAC Name2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;6,7-dimethyl-4-pyridin-2-yl-10-(trideuteriomethyl)-3H-phenoselenazin-3-ide;2,4-diphenyl-6-(2-phenyl-4-pyridinyl)-1,3,5-triazine;tris(iridium);10-methyl-9,9-bis(4-methylphenyl)-4-pyridin-2-yl-3H-acridin-3-ide;5-(4-methylphenyl)pyridine-2-carboxylic acid;3,4,5,6-tetramethylpyridine-2-carboxylic acid
SMILESCc1ccc(-c2ccc(C(=O)O)nc2)cc1.Cc1ccc(C2(c3ccc(C)cc3)c3ccccc3N(C)c3c(-c4ccccn4)[c-]ccc32)cc1.Cc1nc(C(=O)O)c(C)c(C)c1C.[2H]C([2H])([2H])N1c2cc[c-]c(-c3ccccn3)c2[Se]c2c1ccc(C)c2C.[Ir].[Ir].[Ir].[c-]1ccc2c(c1-c1ccccn1)Oc1ccccc1O2.[c-]1ccccc1-c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccn1
InChIInChI=1S/C33H27N2.C26H17N4.C20H17N2Se.C17H10NO2.C13H11NO2.C10H13NO2.3Ir/c1-23-14-18-25(19-15-23)33(26-20-16-24(2)17-21-26)28-10-4-5-13-31(28)35(3)32-27(9-8-11-29(32)33)30-12-6-7-22-34-30;1-4-10-19(11-5-1)23-18-22(16-17-27-23)26-29-24(20-12-6-2-7-13-20)28-25(30-26)21-14-8-3-9-15-21;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;1-2-9-15-14(8-1)19-16-10-5-6-12(17(16)20-15)13-7-3-4-11-18-13;1-9-2-4-10(5-3-9)11-6-7-12(13(15)16)14-8-11;1-5-6(2)8(4)11-9(7(5)3)10(12)13;;;/h4-8,10-22H,1-3H3;1-10,12-18H;4-6,8-12H,1-3H3;1-5,7-11H;2-8H,1H3,(H,15,16);1-4H3,(H,12,13);;;/q4*-1;;;;;/i;;3D3;;;;;;
InChIKeyQPUVKRYCOIXVGU-YEPRSEKWSA-N
XLogP25.47
TPSA215.55 Ų
H-Bond Donors2
H-Bond Acceptors15
Rotatable Bonds13
Heavy Atoms140
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002433.77
LogP ≤ 525.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;6,7-dimethyl-4-pyridin-2-yl-10-(trideuteriomethyl)-3H-phenoselenazin-3-ide;2,4-diphenyl-6-(2-phenyl-4-pyridinyl)-1,3,5-triazine;tris(iridium);10-methyl-9,9-bis(4-methylphenyl)-4-pyridin-2-yl-3H-acridin-3-ide;5-(4-methylphenyl)pyridine-2-carboxylic acid;3,4,5,6-tetramethylpyridine-2-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;6,7-dimethyl-4-pyridin-2-yl-10-(trideuteriomethyl)-3H-phenoselenazin-3-ide;2,4-diphenyl-6-(2-phenyl-4-pyridinyl)-1,3,5-triazine;tris(iridium);10-methyl-9,9-bis(4-methylphenyl)-4-pyridin-2-yl-3H-acridin-3-ide;5-(4-methylphenyl)pyridine-2-carboxylic acid;3,4,5,6-tetramethylpyridine-2-carboxylic acid?
The IUPAC name of 2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;6,7-dimethyl-4-pyridin-2-yl-10-(trideuteriomethyl)-3H-phenoselenazin-3-ide;2,4-diphenyl-6-(2-phenyl-4-pyridinyl)-1,3,5-triazine;tris(iridium);10-methyl-9,9-bis(4-methylphenyl)-4-pyridin-2-yl-3H-acridin-3-ide;5-(4-methylphenyl)pyridine-2-carboxylic acid;3,4,5,6-tetramethylpyridine-2-carboxylic acid (CID 159947767) is 2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;6,7-dimethyl-4-pyridin-2-yl-10-(trideuteriomethyl)-3H-phenoselenazin-3-ide;2,4-diphenyl-6-(2-phenyl-4-pyridinyl)-1,3,5-triazine;tris(iridium);10-methyl-9,9-bis(4-methylphenyl)-4-pyridin-2-yl-3H-acridin-3-ide;5-(4-methylphenyl)pyridine-2-carboxylic acid;3,4,5,6-tetramethylpyridine-2-carboxylic acid.
What is the SMILES notation for 2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;6,7-dimethyl-4-pyridin-2-yl-10-(trideuteriomethyl)-3H-phenoselenazin-3-ide;2,4-diphenyl-6-(2-phenyl-4-pyridinyl)-1,3,5-triazine;tris(iridium);10-methyl-9,9-bis(4-methylphenyl)-4-pyridin-2-yl-3H-acridin-3-ide;5-(4-methylphenyl)pyridine-2-carboxylic acid;3,4,5,6-tetramethylpyridine-2-carboxylic acid?
The canonical SMILES for 2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;6,7-dimethyl-4-pyridin-2-yl-10-(trideuteriomethyl)-3H-phenoselenazin-3-ide;2,4-diphenyl-6-(2-phenyl-4-pyridinyl)-1,3,5-triazine;tris(iridium);10-methyl-9,9-bis(4-methylphenyl)-4-pyridin-2-yl-3H-acridin-3-ide;5-(4-methylphenyl)pyridine-2-carboxylic acid;3,4,5,6-tetramethylpyridine-2-carboxylic acid is Cc1ccc(-c2ccc(C(=O)O)nc2)cc1.Cc1ccc(C2(c3ccc(C)cc3)c3ccccc3N(C)c3c(-c4ccccn4)[c-]ccc32)cc1.Cc1nc(C(=O)O)c(C)c(C)c1C.[2H]C([2H])([2H])N1c2cc[c-]c(-c3ccccn3)c2[Se]c2c1ccc(C)c2C.[Ir].[Ir].[Ir].[c-]1ccc2c(c1-c1ccccn1)Oc1ccccc1O2.[c-]1ccccc1-c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccn1.
What is the InChIKey of 2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;6,7-dimethyl-4-pyridin-2-yl-10-(trideuteriomethyl)-3H-phenoselenazin-3-ide;2,4-diphenyl-6-(2-phenyl-4-pyridinyl)-1,3,5-triazine;tris(iridium);10-methyl-9,9-bis(4-methylphenyl)-4-pyridin-2-yl-3H-acridin-3-ide;5-(4-methylphenyl)pyridine-2-carboxylic acid;3,4,5,6-tetramethylpyridine-2-carboxylic acid?
The InChIKey is QPUVKRYCOIXVGU-YEPRSEKWSA-N. The full InChI is InChI=1S/C33H27N2.C26H17N4.C20H17N2Se.C17H10NO2.C13H11NO2.C10H13NO2.3Ir/c1-23-14-18-25(19-15-23)33(26-20-16-24(2)17-21-26)28-10-4-5-13-31(28)35(3)32-27(9-8-11-29(32)33)30-12-6-7-22-34-30;1-4-10-19(11-5-1)23-18-22(16-17-27-23)26-29-24(20-12-6-2-7-13-20)28-25(30-26)21-14-8-3-9-15-21;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;1-2-9-15-14(8-1)19-16-10-5-6-12(17(16)20-15)13-7-3-4-11-18-13;1-9-2-4-10(5-3-9)11-6-7-12(13(15)16)14-8-11;1-5-6(2)8(4)11-9(7(5)3)10(12)13;;;/h4-8,10-22H,1-3H3;1-10,12-18H;4-6,8-12H,1-3H3;1-5,7-11H;2-8H,1H3,(H,15,16);1-4H3,(H,12,13);;;/q4*-1;;;;;/i;;3D3;;;;;;.
What are the key properties of 2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;6,7-dimethyl-4-pyridin-2-yl-10-(trideuteriomethyl)-3H-phenoselenazin-3-ide;2,4-diphenyl-6-(2-phenyl-4-pyridinyl)-1,3,5-triazine;tris(iridium);10-methyl-9,9-bis(4-methylphenyl)-4-pyridin-2-yl-3H-acridin-3-ide;5-(4-methylphenyl)pyridine-2-carboxylic acid;3,4,5,6-tetramethylpyridine-2-carboxylic acid?
2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;6,7-dimethyl-4-pyridin-2-yl-10-(trideuteriomethyl)-3H-phenoselenazin-3-ide;2,4-diphenyl-6-(2-phenyl-4-pyridinyl)-1,3,5-triazine;tris(iridium);10-methyl-9,9-bis(4-methylphenyl)-4-pyridin-2-yl-3H-acridin-3-ide;5-(4-methylphenyl)pyridine-2-carboxylic acid;3,4,5,6-tetramethylpyridine-2-carboxylic acid has a molecular weight of 2433.77 g/mol, XLogP of 25.47, 13 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;6,7-dimethyl-4-pyridin-2-yl-10-(trideuteriomethyl)-3H-phenoselenazin-3-ide;2,4-diphenyl-6-(2-phenyl-4-pyridinyl)-1,3,5-triazine;tris(iridium);10-methyl-9,9-bis(4-methylphenyl)-4-pyridin-2-yl-3H-acridin-3-ide;5-(4-methylphenyl)pyridine-2-carboxylic acid;3,4,5,6-tetramethylpyridine-2-carboxylic acid is sourced from PubChem (CID 159947767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).