10-(4-tert-butylphenyl)-4-pyridin-2-yl-3H-phenoxazin-3-ide;2-(4-cyclohexylbenzene-6-id-1-yl)pyridine;2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;4-(4,5-dimethyl-2-pyridinyl)-6,7-dimethyl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;2-(10,10-diphenyl-3H-benzo[b][1,4]benzoxasilin-3-id-4-yl)pyridine;tetrakis(iridium);2-phenylpyridine;pyridine-2-carboxylic acid;2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine

C141H115Ir4N10O7Si-7 — CID 159891691

IUPAC10-(4-tert-butylphenyl)-4-pyridin-2-yl-3H-phenoxazin-3-ide;2-(4-cyclohexylbenzene-6-id-1-yl)pyridine;2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;4-(4,5-dimethyl-2-pyridinyl)-6,7-dimethyl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;2-(10,10-diphenyl-3H-benzo[b][1,4]benzoxasilin-3-id-4-yl)pyridine;tetrakis(iridium);2-phenylpyridine;pyridine-2-carboxylic acid;2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine
SMILESCC(C)(C)c1ccc(N2c3ccccc3Oc3c(-c4ccccn4)[c-]ccc32)cc1.O=C(O)c1ccccn1.[2H]C([2H])([2H])N1c2cc[c-]c(-c3cc(C)c(C)cn3)c2Oc2c1ccc(C)c2C.[2H]C([2H])([2H])c1c[c-]c(-c2ccccn2)cc1.[Ir].[Ir].[Ir].[Ir].[c-]1cc(C2CCCCC2)ccc1-c1ccccn1.[c-]1ccc2c(c1-c1ccccn1)Oc1ccccc1O2.[c-]1ccc2c(c1-c1ccccn1)Oc1ccccc1[Si]2(c1ccccc1)c1ccccc1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C29H20NOSi.C27H23N2O.C22H21N2O.C17H10NO2.C17H18N.C12H10N.C11H8N.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)19-14-16-20(17-15-19)29-23-11-4-5-13-25(23)30-26-21(9-8-12-24(26)29)22-10-6-7-18-28-22;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;1-2-9-15-14(8-1)19-16-10-5-6-12(17(16)20-15)13-7-3-4-11-18-13;1-2-6-14(7-3-1)15-9-11-16(12-10-15)17-8-4-5-13-18-17;1-10-5-7-11(8-6-10)12-4-2-3-9-13-12;1-2-6-10(7-3-1)11-8-4-5-9-12-11;8-6(9)5-3-1-2-4-7-5;;;;/h1-15,17-21H;4-8,10-18H,1-3H3;6,8-12H,1-5H3;1-5,7-11H;4-5,8-11,13-14H,1-3,6-7H2;2-7,9H,1H3;1-6,8-9H;1-4H,(H,8,9);;;;/q7*-1;;;;;/i;;5D3;;;1D3;;;;;;
InChIKeyDTKFSXOAFBGMGJ-PQLOWHEPSA-N
MW2864.52 g/mol
LogP32.33
Rot. Bonds14

About 10-(4-tert-butylphenyl)-4-pyridin-2-yl-3H-phenoxazin-3-ide;2-(4-cyclohexylbenzene-6-id-1-yl)pyridine;2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;4-(4,5-dimethyl-2-pyridinyl)-6,7-dimethyl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;2-(10,10-diphenyl-3H-benzo[b][1,4]benzoxasilin-3-id-4-yl)pyridine;tetrakis(iridium);2-phenylpyridine;pyridine-2-carboxylic acid;2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine

10-(4-tert-butylphenyl)-4-pyridin-2-yl-3H-phenoxazin-3-ide;2-(4-cyclohexylbenzene-6-id-1-yl)pyridine;2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;4-(4,5-dimethyl-2-pyridinyl)-6,7-dimethyl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;2-(10,10-diphenyl-3H-benzo[b][1,4]benzoxasilin-3-id-4-yl)pyridine;tetrakis(iridium);2-phenylpyridine;pyridine-2-carboxylic acid;2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine (PubChem CID 159891691) has the molecular formula C141H115Ir4N10O7Si-7 and a molecular weight of 2864.52 g/mol. Its IUPAC name is 10-(4-tert-butylphenyl)-4-pyridin-2-yl-3H-phenoxazin-3-ide;2-(4-cyclohexylbenzene-6-id-1-yl)pyridine;2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;4-(4,5-dimethyl-2-pyridinyl)-6,7-dimethyl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;2-(10,10-diphenyl-3H-benzo[b][1,4]benzoxasilin-3-id-4-yl)pyridine;tetrakis(iridium);2-phenylpyridine;pyridine-2-carboxylic acid;2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine.

Molecular Properties

Compound Name10-(4-tert-butylphenyl)-4-pyridin-2-yl-3H-phenoxazin-3-ide;2-(4-cyclohexylbenzene-6-id-1-yl)pyridine;2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;4-(4,5-dimethyl-2-pyridinyl)-6,7-dimethyl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;2-(10,10-diphenyl-3H-benzo[b][1,4]benzoxasilin-3-id-4-yl)pyridine;tetrakis(iridium);2-phenylpyridine;pyridine-2-carboxylic acid;2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine
PubChem CID159891691
Molecular FormulaC141H115Ir4N10O7Si-7
Molecular Weight2864.52 g/mol
Exact Mass2865.77
IUPAC Name10-(4-tert-butylphenyl)-4-pyridin-2-yl-3H-phenoxazin-3-ide;2-(4-cyclohexylbenzene-6-id-1-yl)pyridine;2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;4-(4,5-dimethyl-2-pyridinyl)-6,7-dimethyl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;2-(10,10-diphenyl-3H-benzo[b][1,4]benzoxasilin-3-id-4-yl)pyridine;tetrakis(iridium);2-phenylpyridine;pyridine-2-carboxylic acid;2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine
SMILESCC(C)(C)c1ccc(N2c3ccccc3Oc3c(-c4ccccn4)[c-]ccc32)cc1.O=C(O)c1ccccn1.[2H]C([2H])([2H])N1c2cc[c-]c(-c3cc(C)c(C)cn3)c2Oc2c1ccc(C)c2C.[2H]C([2H])([2H])c1c[c-]c(-c2ccccn2)cc1.[Ir].[Ir].[Ir].[Ir].[c-]1cc(C2CCCCC2)ccc1-c1ccccn1.[c-]1ccc2c(c1-c1ccccn1)Oc1ccccc1O2.[c-]1ccc2c(c1-c1ccccn1)Oc1ccccc1[Si]2(c1ccccc1)c1ccccc1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C29H20NOSi.C27H23N2O.C22H21N2O.C17H10NO2.C17H18N.C12H10N.C11H8N.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)19-14-16-20(17-15-19)29-23-11-4-5-13-25(23)30-26-21(9-8-12-24(26)29)22-10-6-7-18-28-22;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;1-2-9-15-14(8-1)19-16-10-5-6-12(17(16)20-15)13-7-3-4-11-18-13;1-2-6-14(7-3-1)15-9-11-16(12-10-15)17-8-4-5-13-18-17;1-10-5-7-11(8-6-10)12-4-2-3-9-13-12;1-2-6-10(7-3-1)11-8-4-5-9-12-11;8-6(9)5-3-1-2-4-7-5;;;;/h1-15,17-21H;4-8,10-18H,1-3H3;6,8-12H,1-5H3;1-5,7-11H;4-5,8-11,13-14H,1-3,6-7H2;2-7,9H,1H3;1-6,8-9H;1-4H,(H,8,9);;;;/q7*-1;;;;;/i;;5D3;;;1D3;;;;;;
InChIKeyDTKFSXOAFBGMGJ-PQLOWHEPSA-N
XLogP32.33
TPSA193.05 Ų
H-Bond Donors1
H-Bond Acceptors16
Rotatable Bonds14
Heavy Atoms163
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002864.52
LogP ≤ 532.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1016

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)-4-pyridin-2-yl-3H-phenoxazin-3-ide;2-(4-cyclohexylbenzene-6-id-1-yl)pyridine;2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;4-(4,5-dimethyl-2-pyridinyl)-6,7-dimethyl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;2-(10,10-diphenyl-3H-benzo[b][1,4]benzoxasilin-3-id-4-yl)pyridine;tetrakis(iridium);2-phenylpyridine;pyridine-2-carboxylic acid;2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-(4-tert-butylphenyl)-4-pyridin-2-yl-3H-phenoxazin-3-ide;2-(4-cyclohexylbenzene-6-id-1-yl)pyridine;2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;4-(4,5-dimethyl-2-pyridinyl)-6,7-dimethyl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;2-(10,10-diphenyl-3H-benzo[b][1,4]benzoxasilin-3-id-4-yl)pyridine;tetrakis(iridium);2-phenylpyridine;pyridine-2-carboxylic acid;2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine?
The IUPAC name of 10-(4-tert-butylphenyl)-4-pyridin-2-yl-3H-phenoxazin-3-ide;2-(4-cyclohexylbenzene-6-id-1-yl)pyridine;2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;4-(4,5-dimethyl-2-pyridinyl)-6,7-dimethyl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;2-(10,10-diphenyl-3H-benzo[b][1,4]benzoxasilin-3-id-4-yl)pyridine;tetrakis(iridium);2-phenylpyridine;pyridine-2-carboxylic acid;2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine (CID 159891691) is 10-(4-tert-butylphenyl)-4-pyridin-2-yl-3H-phenoxazin-3-ide;2-(4-cyclohexylbenzene-6-id-1-yl)pyridine;2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;4-(4,5-dimethyl-2-pyridinyl)-6,7-dimethyl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;2-(10,10-diphenyl-3H-benzo[b][1,4]benzoxasilin-3-id-4-yl)pyridine;tetrakis(iridium);2-phenylpyridine;pyridine-2-carboxylic acid;2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine.
What is the SMILES notation for 10-(4-tert-butylphenyl)-4-pyridin-2-yl-3H-phenoxazin-3-ide;2-(4-cyclohexylbenzene-6-id-1-yl)pyridine;2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;4-(4,5-dimethyl-2-pyridinyl)-6,7-dimethyl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;2-(10,10-diphenyl-3H-benzo[b][1,4]benzoxasilin-3-id-4-yl)pyridine;tetrakis(iridium);2-phenylpyridine;pyridine-2-carboxylic acid;2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine?
The canonical SMILES for 10-(4-tert-butylphenyl)-4-pyridin-2-yl-3H-phenoxazin-3-ide;2-(4-cyclohexylbenzene-6-id-1-yl)pyridine;2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;4-(4,5-dimethyl-2-pyridinyl)-6,7-dimethyl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;2-(10,10-diphenyl-3H-benzo[b][1,4]benzoxasilin-3-id-4-yl)pyridine;tetrakis(iridium);2-phenylpyridine;pyridine-2-carboxylic acid;2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine is CC(C)(C)c1ccc(N2c3ccccc3Oc3c(-c4ccccn4)[c-]ccc32)cc1.O=C(O)c1ccccn1.[2H]C([2H])([2H])N1c2cc[c-]c(-c3cc(C)c(C)cn3)c2Oc2c1ccc(C)c2C.[2H]C([2H])([2H])c1c[c-]c(-c2ccccn2)cc1.[Ir].[Ir].[Ir].[Ir].[c-]1cc(C2CCCCC2)ccc1-c1ccccn1.[c-]1ccc2c(c1-c1ccccn1)Oc1ccccc1O2.[c-]1ccc2c(c1-c1ccccn1)Oc1ccccc1[Si]2(c1ccccc1)c1ccccc1.[c-]1ccccc1-c1ccccn1.
What is the InChIKey of 10-(4-tert-butylphenyl)-4-pyridin-2-yl-3H-phenoxazin-3-ide;2-(4-cyclohexylbenzene-6-id-1-yl)pyridine;2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;4-(4,5-dimethyl-2-pyridinyl)-6,7-dimethyl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;2-(10,10-diphenyl-3H-benzo[b][1,4]benzoxasilin-3-id-4-yl)pyridine;tetrakis(iridium);2-phenylpyridine;pyridine-2-carboxylic acid;2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine?
The InChIKey is DTKFSXOAFBGMGJ-PQLOWHEPSA-N. The full InChI is InChI=1S/C29H20NOSi.C27H23N2O.C22H21N2O.C17H10NO2.C17H18N.C12H10N.C11H8N.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)19-14-16-20(17-15-19)29-23-11-4-5-13-25(23)30-26-21(9-8-12-24(26)29)22-10-6-7-18-28-22;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;1-2-9-15-14(8-1)19-16-10-5-6-12(17(16)20-15)13-7-3-4-11-18-13;1-2-6-14(7-3-1)15-9-11-16(12-10-15)17-8-4-5-13-18-17;1-10-5-7-11(8-6-10)12-4-2-3-9-13-12;1-2-6-10(7-3-1)11-8-4-5-9-12-11;8-6(9)5-3-1-2-4-7-5;;;;/h1-15,17-21H;4-8,10-18H,1-3H3;6,8-12H,1-5H3;1-5,7-11H;4-5,8-11,13-14H,1-3,6-7H2;2-7,9H,1H3;1-6,8-9H;1-4H,(H,8,9);;;;/q7*-1;;;;;/i;;5D3;;;1D3;;;;;;.
What are the key properties of 10-(4-tert-butylphenyl)-4-pyridin-2-yl-3H-phenoxazin-3-ide;2-(4-cyclohexylbenzene-6-id-1-yl)pyridine;2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;4-(4,5-dimethyl-2-pyridinyl)-6,7-dimethyl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;2-(10,10-diphenyl-3H-benzo[b][1,4]benzoxasilin-3-id-4-yl)pyridine;tetrakis(iridium);2-phenylpyridine;pyridine-2-carboxylic acid;2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine?
10-(4-tert-butylphenyl)-4-pyridin-2-yl-3H-phenoxazin-3-ide;2-(4-cyclohexylbenzene-6-id-1-yl)pyridine;2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;4-(4,5-dimethyl-2-pyridinyl)-6,7-dimethyl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;2-(10,10-diphenyl-3H-benzo[b][1,4]benzoxasilin-3-id-4-yl)pyridine;tetrakis(iridium);2-phenylpyridine;pyridine-2-carboxylic acid;2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine has a molecular weight of 2864.52 g/mol, XLogP of 32.33, 14 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-tert-butylphenyl)-4-pyridin-2-yl-3H-phenoxazin-3-ide;2-(4-cyclohexylbenzene-6-id-1-yl)pyridine;2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;4-(4,5-dimethyl-2-pyridinyl)-6,7-dimethyl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;2-(10,10-diphenyl-3H-benzo[b][1,4]benzoxasilin-3-id-4-yl)pyridine;tetrakis(iridium);2-phenylpyridine;pyridine-2-carboxylic acid;2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine is sourced from PubChem (CID 159891691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).