5-cyclopentylpyridine-2-carboxylic acid;2-(2H-dibenzo-p-dioxin-2-id-1-yl)-5-methylpyridine;2-(10,10-dimethyl-2H-benzo[b][1,4]benzoxasilin-2-id-1-yl)-4-pyridin-4-ylpyridine;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;tetrakis(iridium);pyridine-2-carboxylic acid;bis(3,4,5,6-tetramethylpyridine-2-carboxylic acid)

C127H116Ir4N10O13Si-4 — CID 160616452

IUPAC5-cyclopentylpyridine-2-carboxylic acid;2-(2H-dibenzo-p-dioxin-2-id-1-yl)-5-methylpyridine;2-(10,10-dimethyl-2H-benzo[b][1,4]benzoxasilin-2-id-1-yl)-4-pyridin-4-ylpyridine;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;tetrakis(iridium);pyridine-2-carboxylic acid;bis(3,4,5,6-tetramethylpyridine-2-carboxylic acid)
SMILESCC1(C)c2ccccc2Oc2cc[c-]c(-c3ccc(-c4ccccc4)cn3)c21.C[Si]1(C)c2ccccc2Oc2cc[c-]c(-c3cc(-c4ccncc4)ccn3)c21.Cc1ccc(-c2[c-]ccc3c2Oc2ccccc2O3)nc1.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.[2H]C([2H])([2H])N1c2cc[c-]c(-c3cc(C)c(C)cn3)c2Oc2c1ccc(C)c2C.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C26H20NO.C24H19N2OSi.C22H21N2O.C18H12NO2.C11H13NO2.2C10H13NO2.C6H5NO2.4Ir/c1-26(2)21-12-6-7-13-23(21)28-24-14-8-11-20(25(24)26)22-16-15-19(17-27-22)18-9-4-3-5-10-18;1-28(2)23-9-4-3-7-21(23)27-22-8-5-6-19(24(22)28)20-16-18(12-15-26-20)17-10-13-25-14-11-17;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;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;;;;/h3-10,12-17H,1-2H3;3-5,7-16H,1-2H3;6,8-12H,1-5H3;2-4,6-11H,1H3;5-8H,1-4H2,(H,13,14);2*1-4H3,(H,12,13);1-4H,(H,8,9);;;;/q4*-1;;;;;;;;/i;;5D3;;;;;;;;;
InChIKeyPKEQFSSZJPEUOF-ROMZGCBVSA-N
MW2790.35 g/mol
LogP28.83
Rot. Bonds12

About 5-cyclopentylpyridine-2-carboxylic acid;2-(2H-dibenzo-p-dioxin-2-id-1-yl)-5-methylpyridine;2-(10,10-dimethyl-2H-benzo[b][1,4]benzoxasilin-2-id-1-yl)-4-pyridin-4-ylpyridine;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;tetrakis(iridium);pyridine-2-carboxylic acid;bis(3,4,5,6-tetramethylpyridine-2-carboxylic acid)

5-cyclopentylpyridine-2-carboxylic acid;2-(2H-dibenzo-p-dioxin-2-id-1-yl)-5-methylpyridine;2-(10,10-dimethyl-2H-benzo[b][1,4]benzoxasilin-2-id-1-yl)-4-pyridin-4-ylpyridine;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;tetrakis(iridium);pyridine-2-carboxylic acid;bis(3,4,5,6-tetramethylpyridine-2-carboxylic acid) (PubChem CID 160616452) has the molecular formula C127H116Ir4N10O13Si-4 and a molecular weight of 2790.35 g/mol. Its IUPAC name is 5-cyclopentylpyridine-2-carboxylic acid;2-(2H-dibenzo-p-dioxin-2-id-1-yl)-5-methylpyridine;2-(10,10-dimethyl-2H-benzo[b][1,4]benzoxasilin-2-id-1-yl)-4-pyridin-4-ylpyridine;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;tetrakis(iridium);pyridine-2-carboxylic acid;bis(3,4,5,6-tetramethylpyridine-2-carboxylic acid).

Molecular Properties

Compound Name5-cyclopentylpyridine-2-carboxylic acid;2-(2H-dibenzo-p-dioxin-2-id-1-yl)-5-methylpyridine;2-(10,10-dimethyl-2H-benzo[b][1,4]benzoxasilin-2-id-1-yl)-4-pyridin-4-ylpyridine;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;tetrakis(iridium);pyridine-2-carboxylic acid;bis(3,4,5,6-tetramethylpyridine-2-carboxylic acid)
PubChem CID160616452
Molecular FormulaC127H116Ir4N10O13Si-4
Molecular Weight2790.35 g/mol
Exact Mass2791.72
IUPAC Name5-cyclopentylpyridine-2-carboxylic acid;2-(2H-dibenzo-p-dioxin-2-id-1-yl)-5-methylpyridine;2-(10,10-dimethyl-2H-benzo[b][1,4]benzoxasilin-2-id-1-yl)-4-pyridin-4-ylpyridine;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;tetrakis(iridium);pyridine-2-carboxylic acid;bis(3,4,5,6-tetramethylpyridine-2-carboxylic acid)
SMILESCC1(C)c2ccccc2Oc2cc[c-]c(-c3ccc(-c4ccccc4)cn3)c21.C[Si]1(C)c2ccccc2Oc2cc[c-]c(-c3cc(-c4ccncc4)ccn3)c21.Cc1ccc(-c2[c-]ccc3c2Oc2ccccc2O3)nc1.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.[2H]C([2H])([2H])N1c2cc[c-]c(-c3cc(C)c(C)cn3)c2Oc2c1ccc(C)c2C.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C26H20NO.C24H19N2OSi.C22H21N2O.C18H12NO2.C11H13NO2.2C10H13NO2.C6H5NO2.4Ir/c1-26(2)21-12-6-7-13-23(21)28-24-14-8-11-20(25(24)26)22-16-15-19(17-27-22)18-9-4-3-5-10-18;1-28(2)23-9-4-3-7-21(23)27-22-8-5-6-19(24(22)28)20-16-18(12-15-26-20)17-10-13-25-14-11-17;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;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;;;;/h3-10,12-17H,1-2H3;3-5,7-16H,1-2H3;6,8-12H,1-5H3;2-4,6-11H,1H3;5-8H,1-4H2,(H,13,14);2*1-4H3,(H,12,13);1-4H,(H,8,9);;;;/q4*-1;;;;;;;;/i;;5D3;;;;;;;;;
InChIKeyPKEQFSSZJPEUOF-ROMZGCBVSA-N
XLogP28.83
TPSA314.60 Ų
H-Bond Donors4
H-Bond Acceptors19
Rotatable Bonds12
Heavy Atoms155
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002790.35
LogP ≤ 528.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze 5-cyclopentylpyridine-2-carboxylic acid;2-(2H-dibenzo-p-dioxin-2-id-1-yl)-5-methylpyridine;2-(10,10-dimethyl-2H-benzo[b][1,4]benzoxasilin-2-id-1-yl)-4-pyridin-4-ylpyridine;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;tetrakis(iridium);pyridine-2-carboxylic acid;bis(3,4,5,6-tetramethylpyridine-2-carboxylic acid) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopentylpyridine-2-carboxylic acid;2-(2H-dibenzo-p-dioxin-2-id-1-yl)-5-methylpyridine;2-(10,10-dimethyl-2H-benzo[b][1,4]benzoxasilin-2-id-1-yl)-4-pyridin-4-ylpyridine;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;tetrakis(iridium);pyridine-2-carboxylic acid;bis(3,4,5,6-tetramethylpyridine-2-carboxylic acid)?
The IUPAC name of 5-cyclopentylpyridine-2-carboxylic acid;2-(2H-dibenzo-p-dioxin-2-id-1-yl)-5-methylpyridine;2-(10,10-dimethyl-2H-benzo[b][1,4]benzoxasilin-2-id-1-yl)-4-pyridin-4-ylpyridine;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;tetrakis(iridium);pyridine-2-carboxylic acid;bis(3,4,5,6-tetramethylpyridine-2-carboxylic acid) (CID 160616452) is 5-cyclopentylpyridine-2-carboxylic acid;2-(2H-dibenzo-p-dioxin-2-id-1-yl)-5-methylpyridine;2-(10,10-dimethyl-2H-benzo[b][1,4]benzoxasilin-2-id-1-yl)-4-pyridin-4-ylpyridine;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;tetrakis(iridium);pyridine-2-carboxylic acid;bis(3,4,5,6-tetramethylpyridine-2-carboxylic acid).
What is the SMILES notation for 5-cyclopentylpyridine-2-carboxylic acid;2-(2H-dibenzo-p-dioxin-2-id-1-yl)-5-methylpyridine;2-(10,10-dimethyl-2H-benzo[b][1,4]benzoxasilin-2-id-1-yl)-4-pyridin-4-ylpyridine;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;tetrakis(iridium);pyridine-2-carboxylic acid;bis(3,4,5,6-tetramethylpyridine-2-carboxylic acid)?
The canonical SMILES for 5-cyclopentylpyridine-2-carboxylic acid;2-(2H-dibenzo-p-dioxin-2-id-1-yl)-5-methylpyridine;2-(10,10-dimethyl-2H-benzo[b][1,4]benzoxasilin-2-id-1-yl)-4-pyridin-4-ylpyridine;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;tetrakis(iridium);pyridine-2-carboxylic acid;bis(3,4,5,6-tetramethylpyridine-2-carboxylic acid) is CC1(C)c2ccccc2Oc2cc[c-]c(-c3ccc(-c4ccccc4)cn3)c21.C[Si]1(C)c2ccccc2Oc2cc[c-]c(-c3cc(-c4ccncc4)ccn3)c21.Cc1ccc(-c2[c-]ccc3c2Oc2ccccc2O3)nc1.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.[2H]C([2H])([2H])N1c2cc[c-]c(-c3cc(C)c(C)cn3)c2Oc2c1ccc(C)c2C.[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of 5-cyclopentylpyridine-2-carboxylic acid;2-(2H-dibenzo-p-dioxin-2-id-1-yl)-5-methylpyridine;2-(10,10-dimethyl-2H-benzo[b][1,4]benzoxasilin-2-id-1-yl)-4-pyridin-4-ylpyridine;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;tetrakis(iridium);pyridine-2-carboxylic acid;bis(3,4,5,6-tetramethylpyridine-2-carboxylic acid)?
The InChIKey is PKEQFSSZJPEUOF-ROMZGCBVSA-N. The full InChI is InChI=1S/C26H20NO.C24H19N2OSi.C22H21N2O.C18H12NO2.C11H13NO2.2C10H13NO2.C6H5NO2.4Ir/c1-26(2)21-12-6-7-13-23(21)28-24-14-8-11-20(25(24)26)22-16-15-19(17-27-22)18-9-4-3-5-10-18;1-28(2)23-9-4-3-7-21(23)27-22-8-5-6-19(24(22)28)20-16-18(12-15-26-20)17-10-13-25-14-11-17;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;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;;;;/h3-10,12-17H,1-2H3;3-5,7-16H,1-2H3;6,8-12H,1-5H3;2-4,6-11H,1H3;5-8H,1-4H2,(H,13,14);2*1-4H3,(H,12,13);1-4H,(H,8,9);;;;/q4*-1;;;;;;;;/i;;5D3;;;;;;;;;.
What are the key properties of 5-cyclopentylpyridine-2-carboxylic acid;2-(2H-dibenzo-p-dioxin-2-id-1-yl)-5-methylpyridine;2-(10,10-dimethyl-2H-benzo[b][1,4]benzoxasilin-2-id-1-yl)-4-pyridin-4-ylpyridine;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;tetrakis(iridium);pyridine-2-carboxylic acid;bis(3,4,5,6-tetramethylpyridine-2-carboxylic acid)?
5-cyclopentylpyridine-2-carboxylic acid;2-(2H-dibenzo-p-dioxin-2-id-1-yl)-5-methylpyridine;2-(10,10-dimethyl-2H-benzo[b][1,4]benzoxasilin-2-id-1-yl)-4-pyridin-4-ylpyridine;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;tetrakis(iridium);pyridine-2-carboxylic acid;bis(3,4,5,6-tetramethylpyridine-2-carboxylic acid) has a molecular weight of 2790.35 g/mol, XLogP of 28.83, 12 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentylpyridine-2-carboxylic acid;2-(2H-dibenzo-p-dioxin-2-id-1-yl)-5-methylpyridine;2-(10,10-dimethyl-2H-benzo[b][1,4]benzoxasilin-2-id-1-yl)-4-pyridin-4-ylpyridine;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;tetrakis(iridium);pyridine-2-carboxylic acid;bis(3,4,5,6-tetramethylpyridine-2-carboxylic acid) is sourced from PubChem (CID 160616452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).