2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;5,10-dicyclopentyl-1-pyridin-2-yl-2H-phenazin-2-ide;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;bis(pyridine-2-carboxylic acid);3,4,5,6-tetramethylpyridine-2-carboxylic acid

C124H100F2Ir4N10O13SSi-4 — CID 160518720

IUPAC2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;5,10-dicyclopentyl-1-pyridin-2-yl-2H-phenazin-2-ide;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;bis(pyridine-2-carboxylic acid);3,4,5,6-tetramethylpyridine-2-carboxylic acid
SMILESCOc1cc(-c2ccc(C(=O)O)nc2)cs1.Cc1nc(C(=O)O)c(C)c(C)c1C.FC1(F)c2ccccc2Oc2cc[c-]c(-c3ccccn3)c21.O=C(O)c1ccccn1.O=C(O)c1ccccn1.[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(c1-c1ccccn1)N(C1CCCC1)c1ccccc1N2C1CCCC1.[c-]1ccc2c(c1-c1ccccn1)Oc1ccccc1O2.[c-]1ccc2c(c1-c1ccccn1)Oc1ccccc1[Si]2(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H20NOSi.C27H28N3.C18H10F2NO.C17H10NO2.C11H9NO3S.C10H13NO2.2C6H5NO2.4Ir/c1-3-12-22(13-4-1)32(23-14-5-2-6-15-23)27-19-8-7-18-26(27)31-29-24(16-11-20-28(29)32)25-17-9-10-21-30-25;1-2-11-20(10-1)29-24-16-5-6-17-25(24)30(21-12-3-4-13-21)27-22(14-9-18-26(27)29)23-15-7-8-19-28-23;19-18(20)13-7-1-2-9-15(13)22-16-10-5-6-12(17(16)18)14-8-3-4-11-21-14;1-2-9-15-14(8-1)19-16-10-5-6-12(17(16)20-15)13-7-3-4-11-18-13;1-15-10-4-8(6-16-10)7-2-3-9(11(13)14)12-5-7;1-5-6(2)8(4)11-9(7(5)3)10(12)13;2*8-6(9)5-3-1-2-4-7-5;;;;/h1-15,17-21H;5-9,15-21H,1-4,10-13H2;1-5,7-11H;1-5,7-11H;2-6H,1H3,(H,13,14);1-4H3,(H,12,13);2*1-4H,(H,8,9);;;;/q4*-1;;;;;;;;
InChIKeyNIPZRDZQBUELCK-UHFFFAOYSA-N
MW2805.24 g/mol
LogP26.38
Rot. Bonds14

About 2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;5,10-dicyclopentyl-1-pyridin-2-yl-2H-phenazin-2-ide;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;bis(pyridine-2-carboxylic acid);3,4,5,6-tetramethylpyridine-2-carboxylic acid

2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;5,10-dicyclopentyl-1-pyridin-2-yl-2H-phenazin-2-ide;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;bis(pyridine-2-carboxylic acid);3,4,5,6-tetramethylpyridine-2-carboxylic acid (PubChem CID 160518720) has the molecular formula C124H100F2Ir4N10O13SSi-4 and a molecular weight of 2805.24 g/mol. Its IUPAC name is 2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;5,10-dicyclopentyl-1-pyridin-2-yl-2H-phenazin-2-ide;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;bis(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;5,10-dicyclopentyl-1-pyridin-2-yl-2H-phenazin-2-ide;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;bis(pyridine-2-carboxylic acid);3,4,5,6-tetramethylpyridine-2-carboxylic acid
PubChem CID160518720
Molecular FormulaC124H100F2Ir4N10O13SSi-4
Molecular Weight2805.24 g/mol
Exact Mass2806.55
IUPAC Name2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;5,10-dicyclopentyl-1-pyridin-2-yl-2H-phenazin-2-ide;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;bis(pyridine-2-carboxylic acid);3,4,5,6-tetramethylpyridine-2-carboxylic acid
SMILESCOc1cc(-c2ccc(C(=O)O)nc2)cs1.Cc1nc(C(=O)O)c(C)c(C)c1C.FC1(F)c2ccccc2Oc2cc[c-]c(-c3ccccn3)c21.O=C(O)c1ccccn1.O=C(O)c1ccccn1.[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(c1-c1ccccn1)N(C1CCCC1)c1ccccc1N2C1CCCC1.[c-]1ccc2c(c1-c1ccccn1)Oc1ccccc1O2.[c-]1ccc2c(c1-c1ccccn1)Oc1ccccc1[Si]2(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H20NOSi.C27H28N3.C18H10F2NO.C17H10NO2.C11H9NO3S.C10H13NO2.2C6H5NO2.4Ir/c1-3-12-22(13-4-1)32(23-14-5-2-6-15-23)27-19-8-7-18-26(27)31-29-24(16-11-20-28(29)32)25-17-9-10-21-30-25;1-2-11-20(10-1)29-24-16-5-6-17-25(24)30(21-12-3-4-13-21)27-22(14-9-18-26(27)29)23-15-7-8-19-28-23;19-18(20)13-7-1-2-9-15(13)22-16-10-5-6-12(17(16)18)14-8-3-4-11-21-14;1-2-9-15-14(8-1)19-16-10-5-6-12(17(16)20-15)13-7-3-4-11-18-13;1-15-10-4-8(6-16-10)7-2-3-9(11(13)14)12-5-7;1-5-6(2)8(4)11-9(7(5)3)10(12)13;2*8-6(9)5-3-1-2-4-7-5;;;;/h1-15,17-21H;5-9,15-21H,1-4,10-13H2;1-5,7-11H;1-5,7-11H;2-6H,1H3,(H,13,14);1-4H3,(H,12,13);2*1-4H,(H,8,9);;;;/q4*-1;;;;;;;;
InChIKeyNIPZRDZQBUELCK-UHFFFAOYSA-N
XLogP26.38
TPSA304.95 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds14
Heavy Atoms155
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002805.24
LogP ≤ 526.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

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;5,10-dicyclopentyl-1-pyridin-2-yl-2H-phenazin-2-ide;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;bis(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;5,10-dicyclopentyl-1-pyridin-2-yl-2H-phenazin-2-ide;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;bis(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;5,10-dicyclopentyl-1-pyridin-2-yl-2H-phenazin-2-ide;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;bis(pyridine-2-carboxylic acid);3,4,5,6-tetramethylpyridine-2-carboxylic acid (CID 160518720) is 2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;5,10-dicyclopentyl-1-pyridin-2-yl-2H-phenazin-2-ide;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;bis(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;5,10-dicyclopentyl-1-pyridin-2-yl-2H-phenazin-2-ide;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;bis(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;5,10-dicyclopentyl-1-pyridin-2-yl-2H-phenazin-2-ide;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;bis(pyridine-2-carboxylic acid);3,4,5,6-tetramethylpyridine-2-carboxylic acid is COc1cc(-c2ccc(C(=O)O)nc2)cs1.Cc1nc(C(=O)O)c(C)c(C)c1C.FC1(F)c2ccccc2Oc2cc[c-]c(-c3ccccn3)c21.O=C(O)c1ccccn1.O=C(O)c1ccccn1.[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(c1-c1ccccn1)N(C1CCCC1)c1ccccc1N2C1CCCC1.[c-]1ccc2c(c1-c1ccccn1)Oc1ccccc1O2.[c-]1ccc2c(c1-c1ccccn1)Oc1ccccc1[Si]2(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;5,10-dicyclopentyl-1-pyridin-2-yl-2H-phenazin-2-ide;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;bis(pyridine-2-carboxylic acid);3,4,5,6-tetramethylpyridine-2-carboxylic acid?
The InChIKey is NIPZRDZQBUELCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20NOSi.C27H28N3.C18H10F2NO.C17H10NO2.C11H9NO3S.C10H13NO2.2C6H5NO2.4Ir/c1-3-12-22(13-4-1)32(23-14-5-2-6-15-23)27-19-8-7-18-26(27)31-29-24(16-11-20-28(29)32)25-17-9-10-21-30-25;1-2-11-20(10-1)29-24-16-5-6-17-25(24)30(21-12-3-4-13-21)27-22(14-9-18-26(27)29)23-15-7-8-19-28-23;19-18(20)13-7-1-2-9-15(13)22-16-10-5-6-12(17(16)18)14-8-3-4-11-21-14;1-2-9-15-14(8-1)19-16-10-5-6-12(17(16)20-15)13-7-3-4-11-18-13;1-15-10-4-8(6-16-10)7-2-3-9(11(13)14)12-5-7;1-5-6(2)8(4)11-9(7(5)3)10(12)13;2*8-6(9)5-3-1-2-4-7-5;;;;/h1-15,17-21H;5-9,15-21H,1-4,10-13H2;1-5,7-11H;1-5,7-11H;2-6H,1H3,(H,13,14);1-4H3,(H,12,13);2*1-4H,(H,8,9);;;;/q4*-1;;;;;;;;.
What are the key properties of 2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;5,10-dicyclopentyl-1-pyridin-2-yl-2H-phenazin-2-ide;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;bis(pyridine-2-carboxylic acid);3,4,5,6-tetramethylpyridine-2-carboxylic acid?
2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;5,10-dicyclopentyl-1-pyridin-2-yl-2H-phenazin-2-ide;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;bis(pyridine-2-carboxylic acid);3,4,5,6-tetramethylpyridine-2-carboxylic acid has a molecular weight of 2805.24 g/mol, XLogP of 26.38, 14 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;5,10-dicyclopentyl-1-pyridin-2-yl-2H-phenazin-2-ide;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;bis(pyridine-2-carboxylic acid);3,4,5,6-tetramethylpyridine-2-carboxylic acid is sourced from PubChem (CID 160518720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).