2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;4-(4,5-dimethyl-2-pyridinyl)-6,7-dimethyl-10-(trichloromethyl)-3H-phenoxazin-3-ide;6,7-dimethyl-4-pyridin-2-yl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;10-(4-fluorophenyl)-4-pyridin-2-yl-3H-phenoxazin-3-ide;tetrakis(iridium);2-phenylpyridine;bis(2,2,6,6-tetramethylhept-3-ene-3,5-diol);2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine

C127H121Cl3FIr4N9O9-6 — CID 162275202

IUPAC2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;4-(4,5-dimethyl-2-pyridinyl)-6,7-dimethyl-10-(trichloromethyl)-3H-phenoxazin-3-ide;6,7-dimethyl-4-pyridin-2-yl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;10-(4-fluorophenyl)-4-pyridin-2-yl-3H-phenoxazin-3-ide;tetrakis(iridium);2-phenylpyridine;bis(2,2,6,6-tetramethylhept-3-ene-3,5-diol);2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine
SMILESCC(C)(C)C(O)=CC(O)C(C)(C)C.CC(C)(C)C(O)=CC(O)C(C)(C)C.Cc1cnc(-c2[c-]ccc3c2Oc2c(ccc(C)c2C)N3C(Cl)(Cl)Cl)cc1C.Fc1ccc(N2c3ccccc3Oc3c(-c4ccccn4)[c-]ccc32)cc1.[2H]C([2H])([2H])N1c2cc[c-]c(-c3ccccn3)c2Oc2c1ccc(C)c2C.[2H]C([2H])([2H])c1c[c-]c(-c2ccccn2)cc1.[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(c1-c1ccccn1)Oc1ccccc1O2.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C23H14FN2O.C22H18Cl3N2O.C20H17N2O.C17H10NO2.C12H10N.C11H8N.2C11H22O2.4Ir/c24-16-11-13-17(14-12-16)26-20-8-1-2-10-22(20)27-23-18(6-5-9-21(23)26)19-7-3-4-15-25-19;1-12-8-9-19-20(15(12)4)28-21-16(17-10-13(2)14(3)11-26-17)6-5-7-18(21)27(19)22(23,24)25;1-13-10-11-18-19(14(13)2)23-20-15(16-8-4-5-12-21-16)7-6-9-17(20)22(18)3;1-2-9-15-14(8-1)19-16-10-5-6-12(17(16)20-15)13-7-3-4-11-18-13;1-10-5-7-11(8-6-10)12-4-2-3-9-13-12;1-2-6-10(7-3-1)11-8-4-5-9-12-11;2*1-10(2,3)8(12)7-9(13)11(4,5)6;;;;/h1-5,7-15H;5,7-11H,1-4H3;4-6,8-12H,1-3H3;1-5,7-11H;2-7,9H,1H3;1-6,8-9H;2*7-8,12-13H,1-6H3;;;;/q6*-1;;;;;;/i;;3D3;;1D3;;;;;;;
InChIKeyNUVXXTBLFQKGHK-UWAZGOHKSA-N
MW2817.68 g/mol
LogP34.26
Rot. Bonds11

About 2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;4-(4,5-dimethyl-2-pyridinyl)-6,7-dimethyl-10-(trichloromethyl)-3H-phenoxazin-3-ide;6,7-dimethyl-4-pyridin-2-yl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;10-(4-fluorophenyl)-4-pyridin-2-yl-3H-phenoxazin-3-ide;tetrakis(iridium);2-phenylpyridine;bis(2,2,6,6-tetramethylhept-3-ene-3,5-diol);2-[4-(trideuteriomethyl)benzene-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-(trichloromethyl)-3H-phenoxazin-3-ide;6,7-dimethyl-4-pyridin-2-yl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;10-(4-fluorophenyl)-4-pyridin-2-yl-3H-phenoxazin-3-ide;tetrakis(iridium);2-phenylpyridine;bis(2,2,6,6-tetramethylhept-3-ene-3,5-diol);2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine (PubChem CID 162275202) has the molecular formula C127H121Cl3FIr4N9O9-6 and a molecular weight of 2817.68 g/mol. Its IUPAC name is 2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;4-(4,5-dimethyl-2-pyridinyl)-6,7-dimethyl-10-(trichloromethyl)-3H-phenoxazin-3-ide;6,7-dimethyl-4-pyridin-2-yl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;10-(4-fluorophenyl)-4-pyridin-2-yl-3H-phenoxazin-3-ide;tetrakis(iridium);2-phenylpyridine;bis(2,2,6,6-tetramethylhept-3-ene-3,5-diol);2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine.

Molecular Properties

Compound Name2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;4-(4,5-dimethyl-2-pyridinyl)-6,7-dimethyl-10-(trichloromethyl)-3H-phenoxazin-3-ide;6,7-dimethyl-4-pyridin-2-yl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;10-(4-fluorophenyl)-4-pyridin-2-yl-3H-phenoxazin-3-ide;tetrakis(iridium);2-phenylpyridine;bis(2,2,6,6-tetramethylhept-3-ene-3,5-diol);2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine
PubChem CID162275202
Molecular FormulaC127H121Cl3FIr4N9O9-6
Molecular Weight2817.68 g/mol
Exact Mass2817.73
IUPAC Name2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;4-(4,5-dimethyl-2-pyridinyl)-6,7-dimethyl-10-(trichloromethyl)-3H-phenoxazin-3-ide;6,7-dimethyl-4-pyridin-2-yl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;10-(4-fluorophenyl)-4-pyridin-2-yl-3H-phenoxazin-3-ide;tetrakis(iridium);2-phenylpyridine;bis(2,2,6,6-tetramethylhept-3-ene-3,5-diol);2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine
SMILESCC(C)(C)C(O)=CC(O)C(C)(C)C.CC(C)(C)C(O)=CC(O)C(C)(C)C.Cc1cnc(-c2[c-]ccc3c2Oc2c(ccc(C)c2C)N3C(Cl)(Cl)Cl)cc1C.Fc1ccc(N2c3ccccc3Oc3c(-c4ccccn4)[c-]ccc32)cc1.[2H]C([2H])([2H])N1c2cc[c-]c(-c3ccccn3)c2Oc2c1ccc(C)c2C.[2H]C([2H])([2H])c1c[c-]c(-c2ccccn2)cc1.[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(c1-c1ccccn1)Oc1ccccc1O2.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C23H14FN2O.C22H18Cl3N2O.C20H17N2O.C17H10NO2.C12H10N.C11H8N.2C11H22O2.4Ir/c24-16-11-13-17(14-12-16)26-20-8-1-2-10-22(20)27-23-18(6-5-9-21(23)26)19-7-3-4-15-25-19;1-12-8-9-19-20(15(12)4)28-21-16(17-10-13(2)14(3)11-26-17)6-5-7-18(21)27(19)22(23,24)25;1-13-10-11-18-19(14(13)2)23-20-15(16-8-4-5-12-21-16)7-6-9-17(20)22(18)3;1-2-9-15-14(8-1)19-16-10-5-6-12(17(16)20-15)13-7-3-4-11-18-13;1-10-5-7-11(8-6-10)12-4-2-3-9-13-12;1-2-6-10(7-3-1)11-8-4-5-9-12-11;2*1-10(2,3)8(12)7-9(13)11(4,5)6;;;;/h1-5,7-15H;5,7-11H,1-4H3;4-6,8-12H,1-3H3;1-5,7-11H;2-7,9H,1H3;1-6,8-9H;2*7-8,12-13H,1-6H3;;;;/q6*-1;;;;;;/i;;3D3;;1D3;;;;;;;
InChIKeyNUVXXTBLFQKGHK-UWAZGOHKSA-N
XLogP34.26
TPSA214.13 Ų
H-Bond Donors4
H-Bond Acceptors18
Rotatable Bonds11
Heavy Atoms153
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002817.68
LogP ≤ 534.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;4-(4,5-dimethyl-2-pyridinyl)-6,7-dimethyl-10-(trichloromethyl)-3H-phenoxazin-3-ide;6,7-dimethyl-4-pyridin-2-yl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;10-(4-fluorophenyl)-4-pyridin-2-yl-3H-phenoxazin-3-ide;tetrakis(iridium);2-phenylpyridine;bis(2,2,6,6-tetramethylhept-3-ene-3,5-diol);2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;4-(4,5-dimethyl-2-pyridinyl)-6,7-dimethyl-10-(trichloromethyl)-3H-phenoxazin-3-ide;6,7-dimethyl-4-pyridin-2-yl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;10-(4-fluorophenyl)-4-pyridin-2-yl-3H-phenoxazin-3-ide;tetrakis(iridium);2-phenylpyridine;bis(2,2,6,6-tetramethylhept-3-ene-3,5-diol);2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine?
The IUPAC name of 2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;4-(4,5-dimethyl-2-pyridinyl)-6,7-dimethyl-10-(trichloromethyl)-3H-phenoxazin-3-ide;6,7-dimethyl-4-pyridin-2-yl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;10-(4-fluorophenyl)-4-pyridin-2-yl-3H-phenoxazin-3-ide;tetrakis(iridium);2-phenylpyridine;bis(2,2,6,6-tetramethylhept-3-ene-3,5-diol);2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine (CID 162275202) is 2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;4-(4,5-dimethyl-2-pyridinyl)-6,7-dimethyl-10-(trichloromethyl)-3H-phenoxazin-3-ide;6,7-dimethyl-4-pyridin-2-yl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;10-(4-fluorophenyl)-4-pyridin-2-yl-3H-phenoxazin-3-ide;tetrakis(iridium);2-phenylpyridine;bis(2,2,6,6-tetramethylhept-3-ene-3,5-diol);2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine.
What is the SMILES notation for 2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;4-(4,5-dimethyl-2-pyridinyl)-6,7-dimethyl-10-(trichloromethyl)-3H-phenoxazin-3-ide;6,7-dimethyl-4-pyridin-2-yl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;10-(4-fluorophenyl)-4-pyridin-2-yl-3H-phenoxazin-3-ide;tetrakis(iridium);2-phenylpyridine;bis(2,2,6,6-tetramethylhept-3-ene-3,5-diol);2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine?
The canonical SMILES for 2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;4-(4,5-dimethyl-2-pyridinyl)-6,7-dimethyl-10-(trichloromethyl)-3H-phenoxazin-3-ide;6,7-dimethyl-4-pyridin-2-yl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;10-(4-fluorophenyl)-4-pyridin-2-yl-3H-phenoxazin-3-ide;tetrakis(iridium);2-phenylpyridine;bis(2,2,6,6-tetramethylhept-3-ene-3,5-diol);2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine is CC(C)(C)C(O)=CC(O)C(C)(C)C.CC(C)(C)C(O)=CC(O)C(C)(C)C.Cc1cnc(-c2[c-]ccc3c2Oc2c(ccc(C)c2C)N3C(Cl)(Cl)Cl)cc1C.Fc1ccc(N2c3ccccc3Oc3c(-c4ccccn4)[c-]ccc32)cc1.[2H]C([2H])([2H])N1c2cc[c-]c(-c3ccccn3)c2Oc2c1ccc(C)c2C.[2H]C([2H])([2H])c1c[c-]c(-c2ccccn2)cc1.[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(c1-c1ccccn1)Oc1ccccc1O2.[c-]1ccccc1-c1ccccn1.
What is the InChIKey of 2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;4-(4,5-dimethyl-2-pyridinyl)-6,7-dimethyl-10-(trichloromethyl)-3H-phenoxazin-3-ide;6,7-dimethyl-4-pyridin-2-yl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;10-(4-fluorophenyl)-4-pyridin-2-yl-3H-phenoxazin-3-ide;tetrakis(iridium);2-phenylpyridine;bis(2,2,6,6-tetramethylhept-3-ene-3,5-diol);2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine?
The InChIKey is NUVXXTBLFQKGHK-UWAZGOHKSA-N. The full InChI is InChI=1S/C23H14FN2O.C22H18Cl3N2O.C20H17N2O.C17H10NO2.C12H10N.C11H8N.2C11H22O2.4Ir/c24-16-11-13-17(14-12-16)26-20-8-1-2-10-22(20)27-23-18(6-5-9-21(23)26)19-7-3-4-15-25-19;1-12-8-9-19-20(15(12)4)28-21-16(17-10-13(2)14(3)11-26-17)6-5-7-18(21)27(19)22(23,24)25;1-13-10-11-18-19(14(13)2)23-20-15(16-8-4-5-12-21-16)7-6-9-17(20)22(18)3;1-2-9-15-14(8-1)19-16-10-5-6-12(17(16)20-15)13-7-3-4-11-18-13;1-10-5-7-11(8-6-10)12-4-2-3-9-13-12;1-2-6-10(7-3-1)11-8-4-5-9-12-11;2*1-10(2,3)8(12)7-9(13)11(4,5)6;;;;/h1-5,7-15H;5,7-11H,1-4H3;4-6,8-12H,1-3H3;1-5,7-11H;2-7,9H,1H3;1-6,8-9H;2*7-8,12-13H,1-6H3;;;;/q6*-1;;;;;;/i;;3D3;;1D3;;;;;;;.
What are the key properties of 2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;4-(4,5-dimethyl-2-pyridinyl)-6,7-dimethyl-10-(trichloromethyl)-3H-phenoxazin-3-ide;6,7-dimethyl-4-pyridin-2-yl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;10-(4-fluorophenyl)-4-pyridin-2-yl-3H-phenoxazin-3-ide;tetrakis(iridium);2-phenylpyridine;bis(2,2,6,6-tetramethylhept-3-ene-3,5-diol);2-[4-(trideuteriomethyl)benzene-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-(trichloromethyl)-3H-phenoxazin-3-ide;6,7-dimethyl-4-pyridin-2-yl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;10-(4-fluorophenyl)-4-pyridin-2-yl-3H-phenoxazin-3-ide;tetrakis(iridium);2-phenylpyridine;bis(2,2,6,6-tetramethylhept-3-ene-3,5-diol);2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine has a molecular weight of 2817.68 g/mol, XLogP of 34.26, 11 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;4-(4,5-dimethyl-2-pyridinyl)-6,7-dimethyl-10-(trichloromethyl)-3H-phenoxazin-3-ide;6,7-dimethyl-4-pyridin-2-yl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;10-(4-fluorophenyl)-4-pyridin-2-yl-3H-phenoxazin-3-ide;tetrakis(iridium);2-phenylpyridine;bis(2,2,6,6-tetramethylhept-3-ene-3,5-diol);2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine is sourced from PubChem (CID 162275202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).