10-tert-butyl-1-pyridin-2-yl-2H-phenoxazin-2-ide;5-cyclopentylpyridine-2-carboxylic acid;2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;9,9-dicyclopentyl-10-methyl-4-pyridin-2-yl-3H-acridin-3-ide;2-(9,9-diethyl-2H-xanthen-2-id-1-yl)pyridine;tetrakis(iridium);pyridine-2-carboxylic acid;bis(3,4,5,6-tetramethylpyridine-2-carboxylic acid)

C126H124Ir4N10O12-4 — CID 158091509

About 10-tert-butyl-1-pyridin-2-yl-2H-phenoxazin-2-ide;5-cyclopentylpyridine-2-carboxylic acid;2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;9,9-dicyclopentyl-10-methyl-4-pyridin-2-yl-3H-acridin-3-ide;2-(9,9-diethyl-2H-xanthen-2-id-1-yl)pyridine;tetrakis(iridium);pyridine-2-carboxylic acid;bis(3,4,5,6-tetramethylpyridine-2-carboxylic acid)

10-tert-butyl-1-pyridin-2-yl-2H-phenoxazin-2-ide;5-cyclopentylpyridine-2-carboxylic acid;2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;9,9-dicyclopentyl-10-methyl-4-pyridin-2-yl-3H-acridin-3-ide;2-(9,9-diethyl-2H-xanthen-2-id-1-yl)pyridine;tetrakis(iridium);pyridine-2-carboxylic acid;bis(3,4,5,6-tetramethylpyridine-2-carboxylic acid) (PubChem CID 158091509) has the molecular formula C126H124Ir4N10O12-4 and a molecular weight of 2739.30 g/mol. Its IUPAC name is 10-tert-butyl-1-pyridin-2-yl-2H-phenoxazin-2-ide;5-cyclopentylpyridine-2-carboxylic acid;2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;9,9-dicyclopentyl-10-methyl-4-pyridin-2-yl-3H-acridin-3-ide;2-(9,9-diethyl-2H-xanthen-2-id-1-yl)pyridine;tetrakis(iridium);pyridine-2-carboxylic acid;bis(3,4,5,6-tetramethylpyridine-2-carboxylic acid).

Molecular Properties

• Compound Name: 10-tert-butyl-1-pyridin-2-yl-2H-phenoxazin-2-ide;5-cyclopentylpyridine-2-carboxylic acid;2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;9,9-dicyclopentyl-10-methyl-4-pyridin-2-yl-3H-acridin-3-ide;2-(9,9-diethyl-2H-xanthen-2-id-1-yl)pyridine;tetrakis(iridium);pyridine-2-carboxylic acid;bis(3,4,5,6-tetramethylpyridine-2-carboxylic acid)
• PubChem CID: 158091509
• Molecular Formula: C126H124Ir4N10O12-4
• Molecular Weight: 2739.30 g/mol
• Exact Mass: 2740.79
• IUPAC Name: 10-tert-butyl-1-pyridin-2-yl-2H-phenoxazin-2-ide;5-cyclopentylpyridine-2-carboxylic acid;2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;9,9-dicyclopentyl-10-methyl-4-pyridin-2-yl-3H-acridin-3-ide;2-(9,9-diethyl-2H-xanthen-2-id-1-yl)pyridine;tetrakis(iridium);pyridine-2-carboxylic acid;bis(3,4,5,6-tetramethylpyridine-2-carboxylic acid)
• SMILES: CC(C)(C)N1c2ccccc2Oc2cc[c-]c(-c3ccccn3)c21.CCC1(CC)c2ccccc2Oc2cc[c-]c(-c3ccccn3)c21.CN1c2ccccc2C(C2CCCC2)(C2CCCC2)c2cc[c-]c(-c3ccccn3)c21.Cc1nc(C(=O)O)c(C)c(C)c1C.Cc1nc(C(=O)O)c(C)c(C)c1C.O=C(O)c1ccc(C2CCCC2)cn1.O=C(O)c1ccccn1.[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(c1-c1ccccn1)Oc1ccccc1O2
• InChI: InChI=1S/C29H31N2.C22H20NO.C21H19N2O.C17H10NO2.C11H13NO2.2C10H13NO2.C6H5NO2.4Ir/c1-31-27-19-7-6-16-24(27)29(21-11-2-3-12-21,22-13-4-5-14-22)25-17-10-15-23(28(25)31)26-18-8-9-20-30-26;1-3-22(4-2)17-11-5-6-13-19(17)24-20-14-9-10-16(21(20)22)18-12-7-8-15-23-18;1-21(2,3)23-17-11-4-5-12-18(17)24-19-13-8-9-15(20(19)23)16-10-6-7-14-22-16;1-2-9-15-14(8-1)19-16-10-5-6-12(17(16)20-15)13-7-3-4-11-18-13;13-11(14)10-6-5-9(7-12-10)8-3-1-2-4-8;2*1-5-6(2)8(4)11-9(7(5)3)10(12)13;8-6(9)5-3-1-2-4-7-5;;;;/h6-10,16-22H,2-5,11-14H2,1H3;5-9,11-15H,3-4H2,1-2H3;4-8,10-14H,1-3H3;1-5,7-11H;5-8H,1-4H2,(H,13,14);2*1-4H3,(H,12,13);1-4H,(H,8,9);;;;/q4*-1
• InChIKey: BFBHDQLYJUSNSQ-UHFFFAOYSA-N
• XLogP: 30.33
• TPSA: 295.72 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 18
• Rotatable Bonds: 13
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2739.30
LogP ≤ 5	30.33
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 10-tert-butyl-1-pyridin-2-yl-2H-phenoxazin-2-ide;5-cyclopentylpyridine-2-carboxylic acid;2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;9,9-dicyclopentyl-10-methyl-4-pyridin-2-yl-3H-acridin-3-ide;2-(9,9-diethyl-2H-xanthen-2-id-1-yl)pyridine;tetrakis(iridium);pyridine-2-carboxylic acid;bis(3,4,5,6-tetramethylpyridine-2-carboxylic acid)?

The IUPAC name of 10-tert-butyl-1-pyridin-2-yl-2H-phenoxazin-2-ide;5-cyclopentylpyridine-2-carboxylic acid;2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;9,9-dicyclopentyl-10-methyl-4-pyridin-2-yl-3H-acridin-3-ide;2-(9,9-diethyl-2H-xanthen-2-id-1-yl)pyridine;tetrakis(iridium);pyridine-2-carboxylic acid;bis(3,4,5,6-tetramethylpyridine-2-carboxylic acid) (CID 158091509) is 10-tert-butyl-1-pyridin-2-yl-2H-phenoxazin-2-ide;5-cyclopentylpyridine-2-carboxylic acid;2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;9,9-dicyclopentyl-10-methyl-4-pyridin-2-yl-3H-acridin-3-ide;2-(9,9-diethyl-2H-xanthen-2-id-1-yl)pyridine;tetrakis(iridium);pyridine-2-carboxylic acid;bis(3,4,5,6-tetramethylpyridine-2-carboxylic acid).

What is the SMILES notation for 10-tert-butyl-1-pyridin-2-yl-2H-phenoxazin-2-ide;5-cyclopentylpyridine-2-carboxylic acid;2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;9,9-dicyclopentyl-10-methyl-4-pyridin-2-yl-3H-acridin-3-ide;2-(9,9-diethyl-2H-xanthen-2-id-1-yl)pyridine;tetrakis(iridium);pyridine-2-carboxylic acid;bis(3,4,5,6-tetramethylpyridine-2-carboxylic acid)?

The canonical SMILES for 10-tert-butyl-1-pyridin-2-yl-2H-phenoxazin-2-ide;5-cyclopentylpyridine-2-carboxylic acid;2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;9,9-dicyclopentyl-10-methyl-4-pyridin-2-yl-3H-acridin-3-ide;2-(9,9-diethyl-2H-xanthen-2-id-1-yl)pyridine;tetrakis(iridium);pyridine-2-carboxylic acid;bis(3,4,5,6-tetramethylpyridine-2-carboxylic acid) is CC(C)(C)N1c2ccccc2Oc2cc[c-]c(-c3ccccn3)c21.CCC1(CC)c2ccccc2Oc2cc[c-]c(-c3ccccn3)c21.CN1c2ccccc2C(C2CCCC2)(C2CCCC2)c2cc[c-]c(-c3ccccn3)c21.Cc1nc(C(=O)O)c(C)c(C)c1C.Cc1nc(C(=O)O)c(C)c(C)c1C.O=C(O)c1ccc(C2CCCC2)cn1.O=C(O)c1ccccn1.[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(c1-c1ccccn1)Oc1ccccc1O2.

What is the InChIKey of 10-tert-butyl-1-pyridin-2-yl-2H-phenoxazin-2-ide;5-cyclopentylpyridine-2-carboxylic acid;2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;9,9-dicyclopentyl-10-methyl-4-pyridin-2-yl-3H-acridin-3-ide;2-(9,9-diethyl-2H-xanthen-2-id-1-yl)pyridine;tetrakis(iridium);pyridine-2-carboxylic acid;bis(3,4,5,6-tetramethylpyridine-2-carboxylic acid)?

The InChIKey is BFBHDQLYJUSNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N2.C22H20NO.C21H19N2O.C17H10NO2.C11H13NO2.2C10H13NO2.C6H5NO2.4Ir/c1-31-27-19-7-6-16-24(27)29(21-11-2-3-12-21,22-13-4-5-14-22)25-17-10-15-23(28(25)31)26-18-8-9-20-30-26;1-3-22(4-2)17-11-5-6-13-19(17)24-20-14-9-10-16(21(20)22)18-12-7-8-15-23-18;1-21(2,3)23-17-11-4-5-12-18(17)24-19-13-8-9-15(20(19)23)16-10-6-7-14-22-16;1-2-9-15-14(8-1)19-16-10-5-6-12(17(16)20-15)13-7-3-4-11-18-13;13-11(14)10-6-5-9(7-12-10)8-3-1-2-4-8;2*1-5-6(2)8(4)11-9(7(5)3)10(12)13;8-6(9)5-3-1-2-4-7-5;;;;/h6-10,16-22H,2-5,11-14H2,1H3;5-9,11-15H,3-4H2,1-2H3;4-8,10-14H,1-3H3;1-5,7-11H;5-8H,1-4H2,(H,13,14);2*1-4H3,(H,12,13);1-4H,(H,8,9);;;;/q4*-1;;;;;;;;.

What are the key properties of 10-tert-butyl-1-pyridin-2-yl-2H-phenoxazin-2-ide;5-cyclopentylpyridine-2-carboxylic acid;2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;9,9-dicyclopentyl-10-methyl-4-pyridin-2-yl-3H-acridin-3-ide;2-(9,9-diethyl-2H-xanthen-2-id-1-yl)pyridine;tetrakis(iridium);pyridine-2-carboxylic acid;bis(3,4,5,6-tetramethylpyridine-2-carboxylic acid)?

10-tert-butyl-1-pyridin-2-yl-2H-phenoxazin-2-ide;5-cyclopentylpyridine-2-carboxylic acid;2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;9,9-dicyclopentyl-10-methyl-4-pyridin-2-yl-3H-acridin-3-ide;2-(9,9-diethyl-2H-xanthen-2-id-1-yl)pyridine;tetrakis(iridium);pyridine-2-carboxylic acid;bis(3,4,5,6-tetramethylpyridine-2-carboxylic acid) has a molecular weight of 2739.30 g/mol, XLogP of 30.33, 13 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 10-tert-butyl-1-pyridin-2-yl-2H-phenoxazin-2-ide;5-cyclopentylpyridine-2-carboxylic acid;2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;9,9-dicyclopentyl-10-methyl-4-pyridin-2-yl-3H-acridin-3-ide;2-(9,9-diethyl-2H-xanthen-2-id-1-yl)pyridine;tetrakis(iridium);pyridine-2-carboxylic acid;bis(3,4,5,6-tetramethylpyridine-2-carboxylic acid) is sourced from PubChem (CID 158091509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).