10-(4-tert-butylphenyl)-3-pyridin-2-yl-4H-phenoxazin-4-ide;5-cyclopentylpyridine-2-carboxylic acid;2-(2H-dibenzo-p-dioxin-2-id-1-yl)-5-methylpyridine;4-(4,5-dimethyl-2-pyridinyl)-6,7-dimethyl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;tris(iridium);pyridine-2-carboxylic acid;3,4,5,6-tetramethylpyridine-2-carboxylic acid

C94H87Ir3N8O10-3 — CID 158548036

IUPAC10-(4-tert-butylphenyl)-3-pyridin-2-yl-4H-phenoxazin-4-ide;5-cyclopentylpyridine-2-carboxylic acid;2-(2H-dibenzo-p-dioxin-2-id-1-yl)-5-methylpyridine;4-(4,5-dimethyl-2-pyridinyl)-6,7-dimethyl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;tris(iridium);pyridine-2-carboxylic acid;3,4,5,6-tetramethylpyridine-2-carboxylic acid
SMILESCC(C)(C)c1ccc(N2c3ccc(-c4ccccn4)[c-]c3Oc3ccccc32)cc1.Cc1ccc(-c2[c-]ccc3c2Oc2ccccc2O3)nc1.Cc1nc(C(=O)O)c(C)c(C)c1C.O=C(O)c1ccc(C2CCCC2)cn1.O=C(O)c1ccccn1.[2H]C([2H])([2H])N1c2cc[c-]c(-c3cc(C)c(C)cn3)c2Oc2c1ccc(C)c2C.[Ir].[Ir].[Ir]
InChIInChI=1S/C27H23N2O.C22H21N2O.C18H12NO2.C11H13NO2.C10H13NO2.C6H5NO2.3Ir/c1-27(2,3)20-12-14-21(15-13-20)29-23-9-4-5-10-25(23)30-26-18-19(11-16-24(26)29)22-8-6-7-17-28-22;1-13-9-10-20-21(16(13)4)25-22-17(7-6-8-19(22)24(20)5)18-11-14(2)15(3)12-23-18;1-12-9-10-14(19-11-12)13-5-4-8-17-18(13)21-16-7-3-2-6-15(16)20-17;13-11(14)10-6-5-9(7-12-10)8-3-1-2-4-8;1-5-6(2)8(4)11-9(7(5)3)10(12)13;8-6(9)5-3-1-2-4-7-5;;;/h4-17H,1-3H3;6,8-12H,1-5H3;2-4,6-11H,1H3;5-8H,1-4H2,(H,13,14);1-4H3,(H,12,13);1-4H,(H,8,9);;;/q3*-1;;;;;;/i;5D3;;;;;;;
InChIKeyXEGBSVBIYDLDBX-AWCNFDAISA-N
MW2068.45 g/mol
LogP23.06
Rot. Bonds9

About 10-(4-tert-butylphenyl)-3-pyridin-2-yl-4H-phenoxazin-4-ide;5-cyclopentylpyridine-2-carboxylic acid;2-(2H-dibenzo-p-dioxin-2-id-1-yl)-5-methylpyridine;4-(4,5-dimethyl-2-pyridinyl)-6,7-dimethyl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;tris(iridium);pyridine-2-carboxylic acid;3,4,5,6-tetramethylpyridine-2-carboxylic acid

10-(4-tert-butylphenyl)-3-pyridin-2-yl-4H-phenoxazin-4-ide;5-cyclopentylpyridine-2-carboxylic acid;2-(2H-dibenzo-p-dioxin-2-id-1-yl)-5-methylpyridine;4-(4,5-dimethyl-2-pyridinyl)-6,7-dimethyl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;tris(iridium);pyridine-2-carboxylic acid;3,4,5,6-tetramethylpyridine-2-carboxylic acid (PubChem CID 158548036) has the molecular formula C94H87Ir3N8O10-3 and a molecular weight of 2068.45 g/mol. Its IUPAC name is 10-(4-tert-butylphenyl)-3-pyridin-2-yl-4H-phenoxazin-4-ide;5-cyclopentylpyridine-2-carboxylic acid;2-(2H-dibenzo-p-dioxin-2-id-1-yl)-5-methylpyridine;4-(4,5-dimethyl-2-pyridinyl)-6,7-dimethyl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;tris(iridium);pyridine-2-carboxylic acid;3,4,5,6-tetramethylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name10-(4-tert-butylphenyl)-3-pyridin-2-yl-4H-phenoxazin-4-ide;5-cyclopentylpyridine-2-carboxylic acid;2-(2H-dibenzo-p-dioxin-2-id-1-yl)-5-methylpyridine;4-(4,5-dimethyl-2-pyridinyl)-6,7-dimethyl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;tris(iridium);pyridine-2-carboxylic acid;3,4,5,6-tetramethylpyridine-2-carboxylic acid
PubChem CID158548036
Molecular FormulaC94H87Ir3N8O10-3
Molecular Weight2068.45 g/mol
Exact Mass2069.56
IUPAC Name10-(4-tert-butylphenyl)-3-pyridin-2-yl-4H-phenoxazin-4-ide;5-cyclopentylpyridine-2-carboxylic acid;2-(2H-dibenzo-p-dioxin-2-id-1-yl)-5-methylpyridine;4-(4,5-dimethyl-2-pyridinyl)-6,7-dimethyl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;tris(iridium);pyridine-2-carboxylic acid;3,4,5,6-tetramethylpyridine-2-carboxylic acid
SMILESCC(C)(C)c1ccc(N2c3ccc(-c4ccccn4)[c-]c3Oc3ccccc32)cc1.Cc1ccc(-c2[c-]ccc3c2Oc2ccccc2O3)nc1.Cc1nc(C(=O)O)c(C)c(C)c1C.O=C(O)c1ccc(C2CCCC2)cn1.O=C(O)c1ccccn1.[2H]C([2H])([2H])N1c2cc[c-]c(-c3cc(C)c(C)cn3)c2Oc2c1ccc(C)c2C.[Ir].[Ir].[Ir]
InChIInChI=1S/C27H23N2O.C22H21N2O.C18H12NO2.C11H13NO2.C10H13NO2.C6H5NO2.3Ir/c1-27(2,3)20-12-14-21(15-13-20)29-23-9-4-5-10-25(23)30-26-18-19(11-16-24(26)29)22-8-6-7-17-28-22;1-13-9-10-20-21(16(13)4)25-22-17(7-6-8-19(22)24(20)5)18-11-14(2)15(3)12-23-18;1-12-9-10-14(19-11-12)13-5-4-8-17-18(13)21-16-7-3-2-6-15(16)20-17;13-11(14)10-6-5-9(7-12-10)8-3-1-2-4-8;1-5-6(2)8(4)11-9(7(5)3)10(12)13;8-6(9)5-3-1-2-4-7-5;;;/h4-17H,1-3H3;6,8-12H,1-5H3;2-4,6-11H,1H3;5-8H,1-4H2,(H,13,14);1-4H3,(H,12,13);1-4H,(H,8,9);;;/q3*-1;;;;;;/i;5D3;;;;;;;
InChIKeyXEGBSVBIYDLDBX-AWCNFDAISA-N
XLogP23.06
TPSA232.64 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds9
Heavy Atoms115
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002068.45
LogP ≤ 523.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 10-(4-tert-butylphenyl)-3-pyridin-2-yl-4H-phenoxazin-4-ide;5-cyclopentylpyridine-2-carboxylic acid;2-(2H-dibenzo-p-dioxin-2-id-1-yl)-5-methylpyridine;4-(4,5-dimethyl-2-pyridinyl)-6,7-dimethyl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;tris(iridium);pyridine-2-carboxylic acid;3,4,5,6-tetramethylpyridine-2-carboxylic acid with MolForge

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Related Compounds

10-(4-tert-butylphenyl)-3-pyridin-2-yl-4H-phenoxazin-4-ide;5-cyclopentylpyridine-2-carboxylic acid;2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;2-(9,9-difluoro-2H-xanthen-2-id-1-yl)pyridine;2-(10,10-diphenyl-3H-benzo[b][1,4]benzoxasilin-3-id-4-yl)pyridine;tetrakis(iridium);5-(5-methoxythiophen-3-yl)pyridine-2-carboxylic acid;pyridine-2-carboxylic acid;3,4,5,6-tetramethylpyridine-2-carboxylic acid
CID 159306397
bis(10-(4-tert-butylphenyl)-3-pyridin-2-yl-4H-phenoxazin-4-ide);5-cyclohexyl-2-(8-cyclohexyl-3H-dibenzofuran-3-id-4-yl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-(2H-dibenzo-p-dioxin-2-id-1-yl)-5-(trifluoromethyl)pyridine;4-(4,5-dimethyl-2-pyridinyl)-6,7-dimethyl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;2-(9,9-dimethyl-2H-xanthen-2-id-1-yl)-5-phenylpyridine;2-(5,5-diphenyl-3H-benzo[b][1]benzosilol-3-id-4-yl)pyridine;pentakis(iridium);9-methyl-1-pyridin-2-yl-2H-carbazol-2-ide
CID 159450534
2-[10,10-bis(4-fluorophenyl)-3H-benzo[b][1,4]benzoxasilin-3-id-4-yl]pyridine;5-cyclopentylpyridine-2-carboxylic acid;4-(4,5-dimethyl-2-pyridinyl)-6,7-dimethyl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;tris(iridium);pyridine-2-carboxylic acid;4-pyridin-2-yl-10-[4-(trifluoromethyl)phenyl]-3H-phenoxazin-3-ide;3,4,5,6-tetramethylpyridine-2-carboxylic acid
CID 161132441
5-cyclopentylpyridine-2-carboxylic acid;6,7-dimethyl-4-pyridin-2-yl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;iridium
CID 153432917
4-(4,5-dimethyl-2-pyridinyl)-6,7-dimethyl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;iridium;3,4,5,6-tetramethylpyridine-2-carboxylic acid
CID 153433081
10-(4-tert-butylphenyl)-3-pyridin-2-yl-4H-phenoxazin-4-ide;5-cyclopentylpyridine-2-carboxylic acid;iridium
CID 153433181
bis(10-(4-tert-butylphenyl)-3-pyridin-2-yl-4H-phenoxazin-4-ide);5-cyclopentylpyridine-2-carboxylic acid;bis(2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine);tetrakis(iridium);2-phenylpyridine;pyridine-2-carboxylic acid;2-(3,4,5-trimethylbenzene-6-id-1-yl)pyridine
CID 157513570
4-(5-cyclohexyl-2-pyridinyl)-10-methyl-9,9-dipyridin-4-yl-3H-acridin-3-ide;5,10-dimethyl-1-pyridin-2-yl-2H-phenazin-2-ide;tris(iridium);5-phenylpyridine-2-carboxylic acid;10-(4-propan-2-ylphenyl)-4-pyridin-2-yl-3H-phenoxazin-3-ide;pyridine-2-carboxylic acid;5-pyridin-4-ylpyridine-2-carboxylic acid
CID 157523321
2-[4-[4-[2-[4-[4-[4,7-Bis(2-methylpropyl)-1,3-benzoxazol-2-yl]phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-4,7-bis(2-methylpropyl)-1,3-benzoxazole;2-[4-[4-[2-[4-[4-[5,6-bis(2-methylpropyl)-1,3-benzoxazol-2-yl]phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-5,6-bis(2-methylpropyl)-1,3-benzoxazole;5,6-di(butan-2-yl)-2-[4-[4-[2-[4-[4-[5,6-di(butan-2-yl)-1,3-benzoxazol-2-yl]phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-1,3-benzoxazole;4,7-ditert-butyl-2-[4-[4-[2-[4-[4-(4,7-ditert-butyl-1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-1,3-benzoxazole
CID 157531991
bis(5-cyclopentylpyridine-2-carboxylic acid);2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;2-(10,10-dimethyl-2H-benzo[b][1,4]benzoxasilin-2-id-1-yl)pyridine;5,10-dimethyl-1-pyridin-2-yl-2H-phenazin-2-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);bis(pyridine-2-carboxylic acid);3,4,5,6-tetramethylpyridine-2-carboxylic acid
CID 157554489
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
6-Hydroxy-2,8-dimethylnon-5-en-4-one;4-hydroxypent-3-en-2-one;tetrakis(iridium);tetrakis(8-(2-methylpropyl)-1,5-dihydroisochromeno[4,3-b]quinolin-1-ide);pyridine-2-carboxylic acid
CID 158113167

Frequently Asked Questions

What is the IUPAC name of 10-(4-tert-butylphenyl)-3-pyridin-2-yl-4H-phenoxazin-4-ide;5-cyclopentylpyridine-2-carboxylic acid;2-(2H-dibenzo-p-dioxin-2-id-1-yl)-5-methylpyridine;4-(4,5-dimethyl-2-pyridinyl)-6,7-dimethyl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;tris(iridium);pyridine-2-carboxylic acid;3,4,5,6-tetramethylpyridine-2-carboxylic acid?
The IUPAC name of 10-(4-tert-butylphenyl)-3-pyridin-2-yl-4H-phenoxazin-4-ide;5-cyclopentylpyridine-2-carboxylic acid;2-(2H-dibenzo-p-dioxin-2-id-1-yl)-5-methylpyridine;4-(4,5-dimethyl-2-pyridinyl)-6,7-dimethyl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;tris(iridium);pyridine-2-carboxylic acid;3,4,5,6-tetramethylpyridine-2-carboxylic acid (CID 158548036) is 10-(4-tert-butylphenyl)-3-pyridin-2-yl-4H-phenoxazin-4-ide;5-cyclopentylpyridine-2-carboxylic acid;2-(2H-dibenzo-p-dioxin-2-id-1-yl)-5-methylpyridine;4-(4,5-dimethyl-2-pyridinyl)-6,7-dimethyl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;tris(iridium);pyridine-2-carboxylic acid;3,4,5,6-tetramethylpyridine-2-carboxylic acid.
What is the SMILES notation for 10-(4-tert-butylphenyl)-3-pyridin-2-yl-4H-phenoxazin-4-ide;5-cyclopentylpyridine-2-carboxylic acid;2-(2H-dibenzo-p-dioxin-2-id-1-yl)-5-methylpyridine;4-(4,5-dimethyl-2-pyridinyl)-6,7-dimethyl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;tris(iridium);pyridine-2-carboxylic acid;3,4,5,6-tetramethylpyridine-2-carboxylic acid?
The canonical SMILES for 10-(4-tert-butylphenyl)-3-pyridin-2-yl-4H-phenoxazin-4-ide;5-cyclopentylpyridine-2-carboxylic acid;2-(2H-dibenzo-p-dioxin-2-id-1-yl)-5-methylpyridine;4-(4,5-dimethyl-2-pyridinyl)-6,7-dimethyl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;tris(iridium);pyridine-2-carboxylic acid;3,4,5,6-tetramethylpyridine-2-carboxylic acid is CC(C)(C)c1ccc(N2c3ccc(-c4ccccn4)[c-]c3Oc3ccccc32)cc1.Cc1ccc(-c2[c-]ccc3c2Oc2ccccc2O3)nc1.Cc1nc(C(=O)O)c(C)c(C)c1C.O=C(O)c1ccc(C2CCCC2)cn1.O=C(O)c1ccccn1.[2H]C([2H])([2H])N1c2cc[c-]c(-c3cc(C)c(C)cn3)c2Oc2c1ccc(C)c2C.[Ir].[Ir].[Ir].
What is the InChIKey of 10-(4-tert-butylphenyl)-3-pyridin-2-yl-4H-phenoxazin-4-ide;5-cyclopentylpyridine-2-carboxylic acid;2-(2H-dibenzo-p-dioxin-2-id-1-yl)-5-methylpyridine;4-(4,5-dimethyl-2-pyridinyl)-6,7-dimethyl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;tris(iridium);pyridine-2-carboxylic acid;3,4,5,6-tetramethylpyridine-2-carboxylic acid?
The InChIKey is XEGBSVBIYDLDBX-AWCNFDAISA-N. The full InChI is InChI=1S/C27H23N2O.C22H21N2O.C18H12NO2.C11H13NO2.C10H13NO2.C6H5NO2.3Ir/c1-27(2,3)20-12-14-21(15-13-20)29-23-9-4-5-10-25(23)30-26-18-19(11-16-24(26)29)22-8-6-7-17-28-22;1-13-9-10-20-21(16(13)4)25-22-17(7-6-8-19(22)24(20)5)18-11-14(2)15(3)12-23-18;1-12-9-10-14(19-11-12)13-5-4-8-17-18(13)21-16-7-3-2-6-15(16)20-17;13-11(14)10-6-5-9(7-12-10)8-3-1-2-4-8;1-5-6(2)8(4)11-9(7(5)3)10(12)13;8-6(9)5-3-1-2-4-7-5;;;/h4-17H,1-3H3;6,8-12H,1-5H3;2-4,6-11H,1H3;5-8H,1-4H2,(H,13,14);1-4H3,(H,12,13);1-4H,(H,8,9);;;/q3*-1;;;;;;/i;5D3;;;;;;;.
What are the key properties of 10-(4-tert-butylphenyl)-3-pyridin-2-yl-4H-phenoxazin-4-ide;5-cyclopentylpyridine-2-carboxylic acid;2-(2H-dibenzo-p-dioxin-2-id-1-yl)-5-methylpyridine;4-(4,5-dimethyl-2-pyridinyl)-6,7-dimethyl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;tris(iridium);pyridine-2-carboxylic acid;3,4,5,6-tetramethylpyridine-2-carboxylic acid?
10-(4-tert-butylphenyl)-3-pyridin-2-yl-4H-phenoxazin-4-ide;5-cyclopentylpyridine-2-carboxylic acid;2-(2H-dibenzo-p-dioxin-2-id-1-yl)-5-methylpyridine;4-(4,5-dimethyl-2-pyridinyl)-6,7-dimethyl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;tris(iridium);pyridine-2-carboxylic acid;3,4,5,6-tetramethylpyridine-2-carboxylic acid has a molecular weight of 2068.45 g/mol, XLogP of 23.06, 9 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-tert-butylphenyl)-3-pyridin-2-yl-4H-phenoxazin-4-ide;5-cyclopentylpyridine-2-carboxylic acid;2-(2H-dibenzo-p-dioxin-2-id-1-yl)-5-methylpyridine;4-(4,5-dimethyl-2-pyridinyl)-6,7-dimethyl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;tris(iridium);pyridine-2-carboxylic acid;3,4,5,6-tetramethylpyridine-2-carboxylic acid is sourced from PubChem (CID 158548036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).