10-(4-tert-butylphenyl)-4-pyridin-2-yl-3H-phenoxazin-3-ide;5,10-dimethyl-3-pyridin-2-yl-2H-phenazin-2-ide;2-(9,9-dimethyl-4H-xanthen-4-id-3-yl)pyridine;1,3-diphenylprop-1-ene-1,3-diol;tris(iridium);2-[6-(5-methoxythiophen-3-yl)-3H-dibenzothiophen-3-id-4-yl]pyridine;2,2,6,6-tetramethylhept-3-ene-3,5-diol

C114H105Ir3N7O7S2-4 — CID 162279116

IUPAC10-(4-tert-butylphenyl)-4-pyridin-2-yl-3H-phenoxazin-3-ide;5,10-dimethyl-3-pyridin-2-yl-2H-phenazin-2-ide;2-(9,9-dimethyl-4H-xanthen-4-id-3-yl)pyridine;1,3-diphenylprop-1-ene-1,3-diol;tris(iridium);2-[6-(5-methoxythiophen-3-yl)-3H-dibenzothiophen-3-id-4-yl]pyridine;2,2,6,6-tetramethylhept-3-ene-3,5-diol
SMILESCC(C)(C)C(O)=CC(O)C(C)(C)C.CC(C)(C)c1ccc(N2c3ccccc3Oc3c(-c4ccccn4)[c-]ccc32)cc1.CC1(C)c2ccc(-c3ccccn3)[c-]c2Oc2ccccc21.CN1c2c[c-]c(-c3ccccn3)cc2N(C)c2ccccc21.COc1cc(-c2cccc3c2sc2c(-c4ccccn4)[c-]ccc23)cs1.OC(=CC(O)c1ccccc1)c1ccccc1.[Ir].[Ir].[Ir]
InChIInChI=1S/C27H23N2O.C22H14NOS2.C20H16NO.C19H16N3.C15H14O2.C11H22O2.3Ir/c1-27(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;1-24-20-12-14(13-25-20)15-6-4-7-16-17-8-5-9-18(22(17)26-21(15)16)19-10-2-3-11-23-19;1-20(2)15-7-3-4-9-18(15)22-19-13-14(10-11-16(19)20)17-8-5-6-12-21-17;1-21-16-8-3-4-9-17(16)22(2)19-13-14(10-11-18(19)21)15-7-5-6-12-20-15;16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;1-10(2,3)8(12)7-9(13)11(4,5)6;;;/h4-8,10-18H,1-3H3;2-8,10-13H,1H3;3-12H,1-2H3;3-9,11-13H,1-2H3;1-11,14,16-17H;7-8,12-13H,1-6H3;;;/q4*-1;;;;;
InChIKeyWKIFWLDJQAVNLG-UHFFFAOYSA-N
MW2325.92 g/mol
LogP29.65
Rot. Bonds11

About 10-(4-tert-butylphenyl)-4-pyridin-2-yl-3H-phenoxazin-3-ide;5,10-dimethyl-3-pyridin-2-yl-2H-phenazin-2-ide;2-(9,9-dimethyl-4H-xanthen-4-id-3-yl)pyridine;1,3-diphenylprop-1-ene-1,3-diol;tris(iridium);2-[6-(5-methoxythiophen-3-yl)-3H-dibenzothiophen-3-id-4-yl]pyridine;2,2,6,6-tetramethylhept-3-ene-3,5-diol

10-(4-tert-butylphenyl)-4-pyridin-2-yl-3H-phenoxazin-3-ide;5,10-dimethyl-3-pyridin-2-yl-2H-phenazin-2-ide;2-(9,9-dimethyl-4H-xanthen-4-id-3-yl)pyridine;1,3-diphenylprop-1-ene-1,3-diol;tris(iridium);2-[6-(5-methoxythiophen-3-yl)-3H-dibenzothiophen-3-id-4-yl]pyridine;2,2,6,6-tetramethylhept-3-ene-3,5-diol (PubChem CID 162279116) has the molecular formula C114H105Ir3N7O7S2-4 and a molecular weight of 2325.92 g/mol. Its IUPAC name is 10-(4-tert-butylphenyl)-4-pyridin-2-yl-3H-phenoxazin-3-ide;5,10-dimethyl-3-pyridin-2-yl-2H-phenazin-2-ide;2-(9,9-dimethyl-4H-xanthen-4-id-3-yl)pyridine;1,3-diphenylprop-1-ene-1,3-diol;tris(iridium);2-[6-(5-methoxythiophen-3-yl)-3H-dibenzothiophen-3-id-4-yl]pyridine;2,2,6,6-tetramethylhept-3-ene-3,5-diol.

Molecular Properties

Compound Name10-(4-tert-butylphenyl)-4-pyridin-2-yl-3H-phenoxazin-3-ide;5,10-dimethyl-3-pyridin-2-yl-2H-phenazin-2-ide;2-(9,9-dimethyl-4H-xanthen-4-id-3-yl)pyridine;1,3-diphenylprop-1-ene-1,3-diol;tris(iridium);2-[6-(5-methoxythiophen-3-yl)-3H-dibenzothiophen-3-id-4-yl]pyridine;2,2,6,6-tetramethylhept-3-ene-3,5-diol
PubChem CID162279116
Molecular FormulaC114H105Ir3N7O7S2-4
Molecular Weight2325.92 g/mol
Exact Mass2326.64
IUPAC Name10-(4-tert-butylphenyl)-4-pyridin-2-yl-3H-phenoxazin-3-ide;5,10-dimethyl-3-pyridin-2-yl-2H-phenazin-2-ide;2-(9,9-dimethyl-4H-xanthen-4-id-3-yl)pyridine;1,3-diphenylprop-1-ene-1,3-diol;tris(iridium);2-[6-(5-methoxythiophen-3-yl)-3H-dibenzothiophen-3-id-4-yl]pyridine;2,2,6,6-tetramethylhept-3-ene-3,5-diol
SMILESCC(C)(C)C(O)=CC(O)C(C)(C)C.CC(C)(C)c1ccc(N2c3ccccc3Oc3c(-c4ccccn4)[c-]ccc32)cc1.CC1(C)c2ccc(-c3ccccn3)[c-]c2Oc2ccccc21.CN1c2c[c-]c(-c3ccccn3)cc2N(C)c2ccccc21.COc1cc(-c2cccc3c2sc2c(-c4ccccn4)[c-]ccc23)cs1.OC(=CC(O)c1ccccc1)c1ccccc1.[Ir].[Ir].[Ir]
InChIInChI=1S/C27H23N2O.C22H14NOS2.C20H16NO.C19H16N3.C15H14O2.C11H22O2.3Ir/c1-27(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;1-24-20-12-14(13-25-20)15-6-4-7-16-17-8-5-9-18(22(17)26-21(15)16)19-10-2-3-11-23-19;1-20(2)15-7-3-4-9-18(15)22-19-13-14(10-11-16(19)20)17-8-5-6-12-21-17;1-21-16-8-3-4-9-17(16)22(2)19-13-14(10-11-18(19)21)15-7-5-6-12-20-15;16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;1-10(2,3)8(12)7-9(13)11(4,5)6;;;/h4-8,10-18H,1-3H3;2-8,10-13H,1H3;3-12H,1-2H3;3-9,11-13H,1-2H3;1-11,14,16-17H;7-8,12-13H,1-6H3;;;/q4*-1;;;;;
InChIKeyWKIFWLDJQAVNLG-UHFFFAOYSA-N
XLogP29.65
TPSA169.89 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds11
Heavy Atoms133
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002325.92
LogP ≤ 529.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 10-(4-tert-butylphenyl)-4-pyridin-2-yl-3H-phenoxazin-3-ide;5,10-dimethyl-3-pyridin-2-yl-2H-phenazin-2-ide;2-(9,9-dimethyl-4H-xanthen-4-id-3-yl)pyridine;1,3-diphenylprop-1-ene-1,3-diol;tris(iridium);2-[6-(5-methoxythiophen-3-yl)-3H-dibenzothiophen-3-id-4-yl]pyridine;2,2,6,6-tetramethylhept-3-ene-3,5-diol with MolForge

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Related Compounds

1-(2H-dibenzo-p-dioxin-2-id-1-yl)isoquinoline;6,7-dimethyl-4-thieno[3,2-c]pyridin-4-yl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;2-(9,9-diphenyl-2H-fluoren-2-id-1-yl)pyridine;tetrakis(iridium);pent-2-ene-2,4-diol;2-(6-pyridin-4-yl-2,9-dihydrofluoren-2-id-1-yl)pyridine;4-pyridin-2-yl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;4-pyridin-2-yl-10-[4-(trifluoromethyl)phenyl]-3H-phenoxazin-3-ide;2,2,6,6-tetramethylhept-3-ene-3,5-diol
CID 162299135
2-(9,9-dimethyl-2H-fluoren-2-id-1-yl)-4,5-dimethylpyridine;5,10-dimethyl-3-pyridin-2-yl-2H-phenazin-2-ide;2-(9,9-dimethyl-3H-xanthen-3-id-2-yl)pyridine;bis(iridium);2-[6-(5-methoxythiophen-3-yl)-3H-dibenzothiophen-3-id-4-yl]pyridine
CID 160007038
bis(5,10-dimethyl-3-pyridin-2-yl-2H-phenazin-2-ide);ethanol;bis(iridium);methanol;2-[6-(5-methoxythiophen-3-yl)-3H-dibenzothiophen-3-id-4-yl]pyridine;2-[6-(5-methoxythiophen-3-yl)dibenzothiophen-4-yl]pyridine
CID 161505310
10-(4-tert-butylphenyl)-3-pyridin-2-yl-4H-phenoxazin-4-ide;2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;3,7-diethylnon-4-ene-4,6-diol;5,10-dimethyl-3-pyridin-2-yl-2H-phenazin-2-ide;2-(9,9-dimethyl-3H-xanthen-3-id-2-yl)pyridine;1,3-diphenylprop-1-ene-1,3-diol;tetrakis(iridium);pent-2-ene-2,4-diol;2,2,6,6-tetramethylhept-3-ene-3,5-diol
CID 162279111
10-tert-butyl-2-pyridin-2-yl-3H-phenoxazin-3-ide;3,7-diethylnon-4-ene-4,6-diol;4-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-9,9,10-trimethyl-3H-acridin-3-ide;2-(10,10-dimethyl-2H-benzo[b][1,4]benzoxasilin-2-id-1-yl)quinoline;2,8-dimethyl-3,7-di(propan-2-yl)non-4-ene-4,6-diol;2,6-dimethylhept-3-ene-3,5-diol;5,10-dimethyl-1-(5,6,7,8-tetrahydroisoquinolin-3-yl)-2H-phenazin-2-ide;3-ethyl-2,8-dimethyl-7-propan-2-ylnon-4-ene-4,6-diol;pentakis(iridium);10-methyl-4-pyridin-2-yl-9,9-dithiophen-2-yl-3H-acridin-3-ide;pent-2-ene-2,4-diol
CID 162280766
10-tert-butyl-2-pyridin-2-yl-3H-phenoxazin-3-ide;4,5-dimethyl-2-phenylpyridine;1-(10,10-diphenyl-3H-benzo[b][1,4]benzoxasilin-3-id-4-yl)isoquinoline;3-ethyl-2,8-dimethyl-7-propan-2-ylnon-4-ene-4,6-diol;tris(iridium);10-methyl-4-pyridin-2-yl-9,9-dithiophen-2-yl-3H-acridin-3-ide;pent-2-ene-2,4-diol
CID 162285170

Frequently Asked Questions

What is the IUPAC name of 10-(4-tert-butylphenyl)-4-pyridin-2-yl-3H-phenoxazin-3-ide;5,10-dimethyl-3-pyridin-2-yl-2H-phenazin-2-ide;2-(9,9-dimethyl-4H-xanthen-4-id-3-yl)pyridine;1,3-diphenylprop-1-ene-1,3-diol;tris(iridium);2-[6-(5-methoxythiophen-3-yl)-3H-dibenzothiophen-3-id-4-yl]pyridine;2,2,6,6-tetramethylhept-3-ene-3,5-diol?
The IUPAC name of 10-(4-tert-butylphenyl)-4-pyridin-2-yl-3H-phenoxazin-3-ide;5,10-dimethyl-3-pyridin-2-yl-2H-phenazin-2-ide;2-(9,9-dimethyl-4H-xanthen-4-id-3-yl)pyridine;1,3-diphenylprop-1-ene-1,3-diol;tris(iridium);2-[6-(5-methoxythiophen-3-yl)-3H-dibenzothiophen-3-id-4-yl]pyridine;2,2,6,6-tetramethylhept-3-ene-3,5-diol (CID 162279116) is 10-(4-tert-butylphenyl)-4-pyridin-2-yl-3H-phenoxazin-3-ide;5,10-dimethyl-3-pyridin-2-yl-2H-phenazin-2-ide;2-(9,9-dimethyl-4H-xanthen-4-id-3-yl)pyridine;1,3-diphenylprop-1-ene-1,3-diol;tris(iridium);2-[6-(5-methoxythiophen-3-yl)-3H-dibenzothiophen-3-id-4-yl]pyridine;2,2,6,6-tetramethylhept-3-ene-3,5-diol.
What is the SMILES notation for 10-(4-tert-butylphenyl)-4-pyridin-2-yl-3H-phenoxazin-3-ide;5,10-dimethyl-3-pyridin-2-yl-2H-phenazin-2-ide;2-(9,9-dimethyl-4H-xanthen-4-id-3-yl)pyridine;1,3-diphenylprop-1-ene-1,3-diol;tris(iridium);2-[6-(5-methoxythiophen-3-yl)-3H-dibenzothiophen-3-id-4-yl]pyridine;2,2,6,6-tetramethylhept-3-ene-3,5-diol?
The canonical SMILES for 10-(4-tert-butylphenyl)-4-pyridin-2-yl-3H-phenoxazin-3-ide;5,10-dimethyl-3-pyridin-2-yl-2H-phenazin-2-ide;2-(9,9-dimethyl-4H-xanthen-4-id-3-yl)pyridine;1,3-diphenylprop-1-ene-1,3-diol;tris(iridium);2-[6-(5-methoxythiophen-3-yl)-3H-dibenzothiophen-3-id-4-yl]pyridine;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)c1ccc(N2c3ccccc3Oc3c(-c4ccccn4)[c-]ccc32)cc1.CC1(C)c2ccc(-c3ccccn3)[c-]c2Oc2ccccc21.CN1c2c[c-]c(-c3ccccn3)cc2N(C)c2ccccc21.COc1cc(-c2cccc3c2sc2c(-c4ccccn4)[c-]ccc23)cs1.OC(=CC(O)c1ccccc1)c1ccccc1.[Ir].[Ir].[Ir].
What is the InChIKey of 10-(4-tert-butylphenyl)-4-pyridin-2-yl-3H-phenoxazin-3-ide;5,10-dimethyl-3-pyridin-2-yl-2H-phenazin-2-ide;2-(9,9-dimethyl-4H-xanthen-4-id-3-yl)pyridine;1,3-diphenylprop-1-ene-1,3-diol;tris(iridium);2-[6-(5-methoxythiophen-3-yl)-3H-dibenzothiophen-3-id-4-yl]pyridine;2,2,6,6-tetramethylhept-3-ene-3,5-diol?
The InChIKey is WKIFWLDJQAVNLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N2O.C22H14NOS2.C20H16NO.C19H16N3.C15H14O2.C11H22O2.3Ir/c1-27(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;1-24-20-12-14(13-25-20)15-6-4-7-16-17-8-5-9-18(22(17)26-21(15)16)19-10-2-3-11-23-19;1-20(2)15-7-3-4-9-18(15)22-19-13-14(10-11-16(19)20)17-8-5-6-12-21-17;1-21-16-8-3-4-9-17(16)22(2)19-13-14(10-11-18(19)21)15-7-5-6-12-20-15;16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;1-10(2,3)8(12)7-9(13)11(4,5)6;;;/h4-8,10-18H,1-3H3;2-8,10-13H,1H3;3-12H,1-2H3;3-9,11-13H,1-2H3;1-11,14,16-17H;7-8,12-13H,1-6H3;;;/q4*-1;;;;;.
What are the key properties of 10-(4-tert-butylphenyl)-4-pyridin-2-yl-3H-phenoxazin-3-ide;5,10-dimethyl-3-pyridin-2-yl-2H-phenazin-2-ide;2-(9,9-dimethyl-4H-xanthen-4-id-3-yl)pyridine;1,3-diphenylprop-1-ene-1,3-diol;tris(iridium);2-[6-(5-methoxythiophen-3-yl)-3H-dibenzothiophen-3-id-4-yl]pyridine;2,2,6,6-tetramethylhept-3-ene-3,5-diol?
10-(4-tert-butylphenyl)-4-pyridin-2-yl-3H-phenoxazin-3-ide;5,10-dimethyl-3-pyridin-2-yl-2H-phenazin-2-ide;2-(9,9-dimethyl-4H-xanthen-4-id-3-yl)pyridine;1,3-diphenylprop-1-ene-1,3-diol;tris(iridium);2-[6-(5-methoxythiophen-3-yl)-3H-dibenzothiophen-3-id-4-yl]pyridine;2,2,6,6-tetramethylhept-3-ene-3,5-diol has a molecular weight of 2325.92 g/mol, XLogP of 29.65, 11 rotatable bonds, 4 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;5,10-dimethyl-3-pyridin-2-yl-2H-phenazin-2-ide;2-(9,9-dimethyl-4H-xanthen-4-id-3-yl)pyridine;1,3-diphenylprop-1-ene-1,3-diol;tris(iridium);2-[6-(5-methoxythiophen-3-yl)-3H-dibenzothiophen-3-id-4-yl]pyridine;2,2,6,6-tetramethylhept-3-ene-3,5-diol is sourced from PubChem (CID 162279116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).