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

C129H103F2Ir4N9O14SSi-4 — CID 159306397

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)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
SMILESCC(C)(C)c1ccc(N2c3ccc(-c4ccccn4)[c-]c3Oc3ccccc32)cc1.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)c1ccc(C2CCCC2)cn1.O=C(O)c1ccccn1.[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(c1-c1ccccn1)Oc1ccccc1O2.[c-]1ccc2c(c1-c1ccccn1)Oc1ccccc1[Si]2(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H20NOSi.C27H23N2O.C18H10F2NO.C17H10NO2.C11H9NO3S.C11H13NO2.C10H13NO2.C6H5NO2.4Ir/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;1-27(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;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;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;;;;/h1-15,17-21H;4-17H,1-3H3;1-5,7-11H;1-5,7-11H;2-6H,1H3,(H,13,14);5-8H,1-4H2,(H,13,14);1-4H3,(H,12,13);1-4H,(H,8,9);;;;/q4*-1;;;;;;;;
InChIKeyQNINPMHLRQZIIO-UHFFFAOYSA-N
MW2870.31 g/mol
LogP28.43
Rot. Bonds14

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)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

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 (PubChem CID 159306397) has the molecular formula C129H103F2Ir4N9O14SSi-4 and a molecular weight of 2870.31 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)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.

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)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
PubChem CID159306397
Molecular FormulaC129H103F2Ir4N9O14SSi-4
Molecular Weight2870.31 g/mol
Exact Mass2871.56
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)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
SMILESCC(C)(C)c1ccc(N2c3ccc(-c4ccccn4)[c-]c3Oc3ccccc32)cc1.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)c1ccc(C2CCCC2)cn1.O=C(O)c1ccccn1.[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(c1-c1ccccn1)Oc1ccccc1O2.[c-]1ccc2c(c1-c1ccccn1)Oc1ccccc1[Si]2(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H20NOSi.C27H23N2O.C18H10F2NO.C17H10NO2.C11H9NO3S.C11H13NO2.C10H13NO2.C6H5NO2.4Ir/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;1-27(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;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;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;;;;/h1-15,17-21H;4-17H,1-3H3;1-5,7-11H;1-5,7-11H;2-6H,1H3,(H,13,14);5-8H,1-4H2,(H,13,14);1-4H3,(H,12,13);1-4H,(H,8,9);;;;/q4*-1;;;;;;;;
InChIKeyQNINPMHLRQZIIO-UHFFFAOYSA-N
XLogP28.43
TPSA310.94 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds14
Heavy Atoms160
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002870.31
LogP ≤ 528.43
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 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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)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?
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)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) 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)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.
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)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?
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)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 is CC(C)(C)c1ccc(N2c3ccc(-c4ccccn4)[c-]c3Oc3ccccc32)cc1.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)c1ccc(C2CCCC2)cn1.O=C(O)c1ccccn1.[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(c1-c1ccccn1)Oc1ccccc1O2.[c-]1ccc2c(c1-c1ccccn1)Oc1ccccc1[Si]2(c1ccccc1)c1ccccc1.
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)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?
The InChIKey is QNINPMHLRQZIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20NOSi.C27H23N2O.C18H10F2NO.C17H10NO2.C11H9NO3S.C11H13NO2.C10H13NO2.C6H5NO2.4Ir/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;1-27(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;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;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;;;;/h1-15,17-21H;4-17H,1-3H3;1-5,7-11H;1-5,7-11H;2-6H,1H3,(H,13,14);5-8H,1-4H2,(H,13,14);1-4H3,(H,12,13);1-4H,(H,8,9);;;;/q4*-1;;;;;;;;.
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)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?
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 has a molecular weight of 2870.31 g/mol, XLogP of 28.43, 14 rotatable bonds, 4 hydrogen bond donors, and 20 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)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 is sourced from PubChem (CID 159306397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).