10-(4-tert-butylphenyl)-3-pyridin-2-yl-4H-phenoxazin-4-ide;2-(2H-dibenzo-p-dioxin-2-id-1-yl)-5-methylpyridine;4-(4,5-dimethyl-2-pyridinyl)-6,7-dimethyl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;2-(9,9-dimethyl-3H-xanthen-3-id-2-yl)pyridine;1,3-diphenylprop-1-ene-1,3-diol;hept-3-ene-3,5-diol;tetrakis(iridium);bis(2,2,6,6-tetramethylhept-3-ene-3,5-diol)

C131H144Ir4N6O13-4 — CID 162279112

About 10-(4-tert-butylphenyl)-3-pyridin-2-yl-4H-phenoxazin-4-ide;2-(2H-dibenzo-p-dioxin-2-id-1-yl)-5-methylpyridine;4-(4,5-dimethyl-2-pyridinyl)-6,7-dimethyl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;2-(9,9-dimethyl-3H-xanthen-3-id-2-yl)pyridine;1,3-diphenylprop-1-ene-1,3-diol;hept-3-ene-3,5-diol;tetrakis(iridium);bis(2,2,6,6-tetramethylhept-3-ene-3,5-diol)

10-(4-tert-butylphenyl)-3-pyridin-2-yl-4H-phenoxazin-4-ide;2-(2H-dibenzo-p-dioxin-2-id-1-yl)-5-methylpyridine;4-(4,5-dimethyl-2-pyridinyl)-6,7-dimethyl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;2-(9,9-dimethyl-3H-xanthen-3-id-2-yl)pyridine;1,3-diphenylprop-1-ene-1,3-diol;hept-3-ene-3,5-diol;tetrakis(iridium);bis(2,2,6,6-tetramethylhept-3-ene-3,5-diol) (PubChem CID 162279112) has the molecular formula C131H144Ir4N6O13-4 and a molecular weight of 2782.51 g/mol. Its IUPAC name is 10-(4-tert-butylphenyl)-3-pyridin-2-yl-4H-phenoxazin-4-ide;2-(2H-dibenzo-p-dioxin-2-id-1-yl)-5-methylpyridine;4-(4,5-dimethyl-2-pyridinyl)-6,7-dimethyl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;2-(9,9-dimethyl-3H-xanthen-3-id-2-yl)pyridine;1,3-diphenylprop-1-ene-1,3-diol;hept-3-ene-3,5-diol;tetrakis(iridium);bis(2,2,6,6-tetramethylhept-3-ene-3,5-diol).

Molecular Properties

• Compound Name: 10-(4-tert-butylphenyl)-3-pyridin-2-yl-4H-phenoxazin-4-ide;2-(2H-dibenzo-p-dioxin-2-id-1-yl)-5-methylpyridine;4-(4,5-dimethyl-2-pyridinyl)-6,7-dimethyl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;2-(9,9-dimethyl-3H-xanthen-3-id-2-yl)pyridine;1,3-diphenylprop-1-ene-1,3-diol;hept-3-ene-3,5-diol;tetrakis(iridium);bis(2,2,6,6-tetramethylhept-3-ene-3,5-diol)
• PubChem CID: 162279112
• Molecular Formula: C131H144Ir4N6O13-4
• Molecular Weight: 2782.51 g/mol
• Exact Mass: 2783.95
• IUPAC Name: 10-(4-tert-butylphenyl)-3-pyridin-2-yl-4H-phenoxazin-4-ide;2-(2H-dibenzo-p-dioxin-2-id-1-yl)-5-methylpyridine;4-(4,5-dimethyl-2-pyridinyl)-6,7-dimethyl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;2-(9,9-dimethyl-3H-xanthen-3-id-2-yl)pyridine;1,3-diphenylprop-1-ene-1,3-diol;hept-3-ene-3,5-diol;tetrakis(iridium);bis(2,2,6,6-tetramethylhept-3-ene-3,5-diol)
• SMILES: CC(C)(C)C(O)=CC(O)C(C)(C)C.CC(C)(C)C(O)=CC(O)C(C)(C)C.CC(C)(C)c1ccc(N2c3ccc(-c4ccccn4)[c-]c3Oc3ccccc32)cc1.CC1(C)c2ccccc2Oc2c[c-]c(-c3ccccn3)cc21.CCC(O)=CC(O)CC.Cc1ccc(-c2[c-]ccc3c2Oc2ccccc2O3)nc1.OC(=CC(O)c1ccccc1)c1ccccc1.[2H]C([2H])([2H])N1c2cc[c-]c(-c3cc(C)c(C)cn3)c2Oc2c1ccc(C)c2C.[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C27H23N2O.C22H21N2O.C20H16NO.C18H12NO2.C15H14O2.2C11H22O2.C7H14O2.4Ir/c1-27(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;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;1-20(2)15-7-3-4-9-18(15)22-19-11-10-14(13-16(19)20)17-8-5-6-12-21-17;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;16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;2*1-10(2,3)8(12)7-9(13)11(4,5)6;1-3-6(8)5-7(9)4-2;;;;/h4-17H,1-3H3;6,8-12H,1-5H3;3-9,11-13H,1-2H3;2-4,6-11H,1H3;1-11,14,16-17H;2*7-8,12-13H,1-6H3;5-6,8-9H,3-4H2,1-2H3;;;;/q4*-1;;;;;;;;/i;5D3
• InChIKey: SZNUXXUNGAAQDG-RHRFVOQGSA-N
• XLogP: 33.49
• TPSA: 266.03 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 19
• Rotatable Bonds: 14
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2782.51
LogP ≤ 5	33.49
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 10-(4-tert-butylphenyl)-3-pyridin-2-yl-4H-phenoxazin-4-ide;2-(2H-dibenzo-p-dioxin-2-id-1-yl)-5-methylpyridine;4-(4,5-dimethyl-2-pyridinyl)-6,7-dimethyl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;2-(9,9-dimethyl-3H-xanthen-3-id-2-yl)pyridine;1,3-diphenylprop-1-ene-1,3-diol;hept-3-ene-3,5-diol;tetrakis(iridium);bis(2,2,6,6-tetramethylhept-3-ene-3,5-diol)?

The IUPAC name of 10-(4-tert-butylphenyl)-3-pyridin-2-yl-4H-phenoxazin-4-ide;2-(2H-dibenzo-p-dioxin-2-id-1-yl)-5-methylpyridine;4-(4,5-dimethyl-2-pyridinyl)-6,7-dimethyl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;2-(9,9-dimethyl-3H-xanthen-3-id-2-yl)pyridine;1,3-diphenylprop-1-ene-1,3-diol;hept-3-ene-3,5-diol;tetrakis(iridium);bis(2,2,6,6-tetramethylhept-3-ene-3,5-diol) (CID 162279112) is 10-(4-tert-butylphenyl)-3-pyridin-2-yl-4H-phenoxazin-4-ide;2-(2H-dibenzo-p-dioxin-2-id-1-yl)-5-methylpyridine;4-(4,5-dimethyl-2-pyridinyl)-6,7-dimethyl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;2-(9,9-dimethyl-3H-xanthen-3-id-2-yl)pyridine;1,3-diphenylprop-1-ene-1,3-diol;hept-3-ene-3,5-diol;tetrakis(iridium);bis(2,2,6,6-tetramethylhept-3-ene-3,5-diol).

What is the SMILES notation for 10-(4-tert-butylphenyl)-3-pyridin-2-yl-4H-phenoxazin-4-ide;2-(2H-dibenzo-p-dioxin-2-id-1-yl)-5-methylpyridine;4-(4,5-dimethyl-2-pyridinyl)-6,7-dimethyl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;2-(9,9-dimethyl-3H-xanthen-3-id-2-yl)pyridine;1,3-diphenylprop-1-ene-1,3-diol;hept-3-ene-3,5-diol;tetrakis(iridium);bis(2,2,6,6-tetramethylhept-3-ene-3,5-diol)?

The canonical SMILES for 10-(4-tert-butylphenyl)-3-pyridin-2-yl-4H-phenoxazin-4-ide;2-(2H-dibenzo-p-dioxin-2-id-1-yl)-5-methylpyridine;4-(4,5-dimethyl-2-pyridinyl)-6,7-dimethyl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;2-(9,9-dimethyl-3H-xanthen-3-id-2-yl)pyridine;1,3-diphenylprop-1-ene-1,3-diol;hept-3-ene-3,5-diol;tetrakis(iridium);bis(2,2,6,6-tetramethylhept-3-ene-3,5-diol) is CC(C)(C)C(O)=CC(O)C(C)(C)C.CC(C)(C)C(O)=CC(O)C(C)(C)C.CC(C)(C)c1ccc(N2c3ccc(-c4ccccn4)[c-]c3Oc3ccccc32)cc1.CC1(C)c2ccccc2Oc2c[c-]c(-c3ccccn3)cc21.CCC(O)=CC(O)CC.Cc1ccc(-c2[c-]ccc3c2Oc2ccccc2O3)nc1.OC(=CC(O)c1ccccc1)c1ccccc1.[2H]C([2H])([2H])N1c2cc[c-]c(-c3cc(C)c(C)cn3)c2Oc2c1ccc(C)c2C.[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of 10-(4-tert-butylphenyl)-3-pyridin-2-yl-4H-phenoxazin-4-ide;2-(2H-dibenzo-p-dioxin-2-id-1-yl)-5-methylpyridine;4-(4,5-dimethyl-2-pyridinyl)-6,7-dimethyl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;2-(9,9-dimethyl-3H-xanthen-3-id-2-yl)pyridine;1,3-diphenylprop-1-ene-1,3-diol;hept-3-ene-3,5-diol;tetrakis(iridium);bis(2,2,6,6-tetramethylhept-3-ene-3,5-diol)?

The InChIKey is SZNUXXUNGAAQDG-RHRFVOQGSA-N. The full InChI is InChI=1S/C27H23N2O.C22H21N2O.C20H16NO.C18H12NO2.C15H14O2.2C11H22O2.C7H14O2.4Ir/c1-27(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;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;1-20(2)15-7-3-4-9-18(15)22-19-11-10-14(13-16(19)20)17-8-5-6-12-21-17;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;16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;2*1-10(2,3)8(12)7-9(13)11(4,5)6;1-3-6(8)5-7(9)4-2;;;;/h4-17H,1-3H3;6,8-12H,1-5H3;3-9,11-13H,1-2H3;2-4,6-11H,1H3;1-11,14,16-17H;2*7-8,12-13H,1-6H3;5-6,8-9H,3-4H2,1-2H3;;;;/q4*-1;;;;;;;;/i;5D3;;;;;;;;;;.

What are the key properties of 10-(4-tert-butylphenyl)-3-pyridin-2-yl-4H-phenoxazin-4-ide;2-(2H-dibenzo-p-dioxin-2-id-1-yl)-5-methylpyridine;4-(4,5-dimethyl-2-pyridinyl)-6,7-dimethyl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;2-(9,9-dimethyl-3H-xanthen-3-id-2-yl)pyridine;1,3-diphenylprop-1-ene-1,3-diol;hept-3-ene-3,5-diol;tetrakis(iridium);bis(2,2,6,6-tetramethylhept-3-ene-3,5-diol)?

10-(4-tert-butylphenyl)-3-pyridin-2-yl-4H-phenoxazin-4-ide;2-(2H-dibenzo-p-dioxin-2-id-1-yl)-5-methylpyridine;4-(4,5-dimethyl-2-pyridinyl)-6,7-dimethyl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;2-(9,9-dimethyl-3H-xanthen-3-id-2-yl)pyridine;1,3-diphenylprop-1-ene-1,3-diol;hept-3-ene-3,5-diol;tetrakis(iridium);bis(2,2,6,6-tetramethylhept-3-ene-3,5-diol) has a molecular weight of 2782.51 g/mol, XLogP of 33.49, 14 rotatable bonds, 8 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 10-(4-tert-butylphenyl)-3-pyridin-2-yl-4H-phenoxazin-4-ide;2-(2H-dibenzo-p-dioxin-2-id-1-yl)-5-methylpyridine;4-(4,5-dimethyl-2-pyridinyl)-6,7-dimethyl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;2-(9,9-dimethyl-3H-xanthen-3-id-2-yl)pyridine;1,3-diphenylprop-1-ene-1,3-diol;hept-3-ene-3,5-diol;tetrakis(iridium);bis(2,2,6,6-tetramethylhept-3-ene-3,5-diol) is sourced from PubChem (CID 162279112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).