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

C127H137Ir4N7O12-4 — CID 162279111

IUPAC10-(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
SMILESCC(C)(C)C(O)=CC(O)C(C)(C)C.CC(C)(C)c1ccc(N2c3ccc(-c4ccccn4)[c-]c3Oc3ccccc32)cc1.CC(O)=CC(C)O.CC1(C)c2ccccc2Oc2c[c-]c(-c3ccccn3)cc21.CCC(CC)C(O)=CC(O)C(CC)CC.CN1c2c[c-]c(-c3ccccn3)cc2N(C)c2ccccc21.OC(=CC(O)c1ccccc1)c1ccccc1.[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(c1-c1ccccn1)Oc1ccccc1O2
InChIInChI=1S/C27H23N2O.C20H16NO.C19H16N3.C17H10NO2.C15H14O2.C13H26O2.C11H22O2.C5H10O2.4Ir/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;1-20(2)15-7-3-4-9-18(15)22-19-11-10-14(13-16(19)20)17-8-5-6-12-21-17;1-21-16-8-3-4-9-17(16)22(2)19-13-14(10-11-18(19)21)15-7-5-6-12-20-15;1-2-9-15-14(8-1)19-16-10-5-6-12(17(16)20-15)13-7-3-4-11-18-13;16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;1-10(2,3)8(12)7-9(13)11(4,5)6;1-4(6)3-5(2)7;;;;/h4-17H,1-3H3;2*3-9,11-13H,1-2H3;1-5,7-11H;1-11,14,16-17H;9-12,14-15H,5-8H2,1-4H3;7-8,12-13H,1-6H3;3-4,6-7H,1-2H3;;;;/q4*-1;;;;;;;;
InChIKeyUQQSJLOUKNOCQX-UHFFFAOYSA-N
MW2722.40 g/mol
LogP31.93
Rot. Bonds17

About 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

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 (PubChem CID 162279111) has the molecular formula C127H137Ir4N7O12-4 and a molecular weight of 2722.40 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)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.

Molecular Properties

Compound Name10-(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
PubChem CID162279111
Molecular FormulaC127H137Ir4N7O12-4
Molecular Weight2722.40 g/mol
Exact Mass2723.89
IUPAC Name10-(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
SMILESCC(C)(C)C(O)=CC(O)C(C)(C)C.CC(C)(C)c1ccc(N2c3ccc(-c4ccccn4)[c-]c3Oc3ccccc32)cc1.CC(O)=CC(C)O.CC1(C)c2ccccc2Oc2c[c-]c(-c3ccccn3)cc21.CCC(CC)C(O)=CC(O)C(CC)CC.CN1c2c[c-]c(-c3ccccn3)cc2N(C)c2ccccc21.OC(=CC(O)c1ccccc1)c1ccccc1.[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(c1-c1ccccn1)Oc1ccccc1O2
InChIInChI=1S/C27H23N2O.C20H16NO.C19H16N3.C17H10NO2.C15H14O2.C13H26O2.C11H22O2.C5H10O2.4Ir/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;1-20(2)15-7-3-4-9-18(15)22-19-11-10-14(13-16(19)20)17-8-5-6-12-21-17;1-21-16-8-3-4-9-17(16)22(2)19-13-14(10-11-18(19)21)15-7-5-6-12-20-15;1-2-9-15-14(8-1)19-16-10-5-6-12(17(16)20-15)13-7-3-4-11-18-13;16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;1-10(2,3)8(12)7-9(13)11(4,5)6;1-4(6)3-5(2)7;;;;/h4-17H,1-3H3;2*3-9,11-13H,1-2H3;1-5,7-11H;1-11,14,16-17H;9-12,14-15H,5-8H2,1-4H3;7-8,12-13H,1-6H3;3-4,6-7H,1-2H3;;;;/q4*-1;;;;;;;;
InChIKeyUQQSJLOUKNOCQX-UHFFFAOYSA-N
XLogP31.93
TPSA260.04 Ų
H-Bond Donors8
H-Bond Acceptors19
Rotatable Bonds17
Heavy Atoms150
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002722.40
LogP ≤ 531.93
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1019

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)-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 with MolForge

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Related Compounds

2-[2-[2-[4,5-dimethyl-3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]phenoxy]ethyl]pyridine;2-[2-[2-[3-[2,6-di(propan-2-yl)phenyl]-4,5-dimethyl-2H-imidazol-1-yl]-3-methylphenoxy]ethyl]pyridine;2-[2-[2-[3-[2,6-di(propan-2-yl)phenyl]-4,5-dimethyl-2H-imidazol-1-yl]phenoxy]ethyl]pyridine;1-[2,6-di(propan-2-yl)phenyl]-3-[2-methyl-6-(2-pyridin-2-ylethoxy)phenyl]-2H-benzimidazole;1-[2-methyl-6-(2-pyridin-2-ylethoxy)phenyl]-3-(2,4,6-trimethylphenyl)-2H-benzimidazole
CID 157672831
10-tert-butyl-1-pyridin-2-yl-2H-phenoxazin-2-ide;2-(4-cyclohexylbenzene-6-id-1-yl)pyridine;9,9-dicyclopentyl-10-methyl-4-pyridin-2-yl-3H-acridin-3-ide;5,10-dicyclopentyl-1-pyridin-2-yl-2H-phenazin-2-ide;2-(9,9-diethyl-2H-xanthen-2-id-1-yl)pyridine;tetrakis(iridium);4-methyl-2-phenylpyridine;2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;2-(3,4,5-trimethylbenzene-6-id-1-yl)pyridine
CID 157766348
2-[10,10-bis(3,5-dimethylphenyl)-3H-benzo[b][1,4]benzoxasilin-3-id-4-yl]pyridine;10-(4-tert-butylphenyl)-3-pyridin-2-yl-4H-phenoxazin-4-ide;2-(10,10-difluoro-3H-benzo[b][1,4]benzoxasilin-3-id-4-yl)pyridine;4,5-dimethyl-2-phenylpyridine;2-(9,9-dimethyl-2H-xanthen-2-id-1-yl)pyridine;tetrakis(iridium);2-phenylpyridine;2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;2-(3,4,5-trimethylbenzene-6-id-1-yl)pyridine
CID 157837305
bis(10-(4-tert-butylphenyl)-3-pyridin-2-yl-4H-phenoxazin-4-ide);bis(iridium);methanol;2-(3,4,5-trimethylbenzene-6-id-1-yl)pyridine;2-(3,4,5-trimethylphenyl)pyridine
CID 158230508
4,5-dimethyl-2-phenylpyridine;4,5-dimethyl-2-phenylpyridine;bis(2-(9,9-dimethyl-3H-xanthen-3-id-2-yl)pyridine);ethane;ethanol;bis(iridium);methanol
CID 158254931
2-(4-cyclohexylbenzene-6-id-1-yl)pyridine;2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;2-(10,10-dimethyl-2H-benzo[b][1,4]benzoxasilin-2-id-1-yl)pyridine;4,5-dimethyl-2-phenylpyridine;5,10-dimethyl-1-pyridin-2-yl-2H-phenazin-2-ide;6,7-dimethyl-4-pyridin-2-yl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;2-(9,9-dimethyl-2H-xanthen-2-id-1-yl)pyridine;pentakis(iridium);2-phenylpyridine;2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;2-(3,4,5-trimethylbenzene-6-id-1-yl)pyridine
CID 158847637
10-tert-butyl-1-pyridin-2-yl-2H-phenoxazin-2-ide;2-(4-cyclohexylbenzene-6-id-1-yl)pyridine;9,9-dicyclopentyl-10-methyl-4-pyridin-2-yl-3H-acridin-3-ide;5,10-dicyclopentyl-1-pyridin-2-yl-2H-phenazin-2-ide;2-(9,9-diethyl-2H-xanthen-2-id-1-yl)pyridine;pentakis(iridium);4-methyl-2-phenylpyridine;2-phenylpyridine;2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;2-(3,4,5-trimethylbenzene-6-id-1-yl)pyridine;9,9,10-trimethyl-4-pyridin-2-yl-3H-acridin-3-ide
CID 159340130
bis(10-(4-tert-butylphenyl)-3-pyridin-2-yl-4H-phenoxazin-4-ide);bis(iridium);methanol;9-methyl-1-pyridin-2-ylcarbazole;9-methyl-1-pyridin-2-yl-2H-carbazol-2-ide
CID 160203790
2-(4-cyclohexylbenzene-6-id-1-yl)pyridine;2-(2H-dibenzo-p-dioxin-2-id-1-yl)-5-methylpyridine;2-(10,10-dimethyl-2H-benzo[b][1,4]benzoxasilin-2-id-1-yl)-4-phenylpyridine;4,5-dimethyl-2-phenylpyridine;4-(4,5-dimethyl-2-pyridinyl)-6,7-dimethyl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;2-(9,9-dimethyl-2H-xanthen-2-id-1-yl)-5-phenylpyridine;tetrakis(iridium);2-phenylpyridine;2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine
CID 160351879
2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;5-(3,5-dimethylphenyl)-10-methyl-1-pyridin-2-yl-2H-phenazin-2-ide;2-(9,9-dimethyl-2H-xanthen-2-id-1-yl)-5-phenylpyridine;tetrakis(iridium);2-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine;10-methyl-4-pyridin-2-yl-9,9-dipyridin-4-yl-3H-acridin-3-ide;tris(2-phenylpyridine)
CID 160538966
Bis(9-(3,7-dimethylphenoxazin-10-yl)nonane-2,4-diol);3,7-dimethyl-10-[4-(3-pyridin-2-ylbenzene-4-id-1-yl)oxybutyl]phenoxazine;tris(iridium);1-phenylisoquinoline;bis(2-phenylpyridine)
CID 161044163
bis(2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine);ethanol;bis(iridium);methanol;2-phenylpyridine;2-phenylpyridine
CID 161655984

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)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?
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)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) is 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.
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)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?
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)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 is CC(C)(C)C(O)=CC(O)C(C)(C)C.CC(C)(C)c1ccc(N2c3ccc(-c4ccccn4)[c-]c3Oc3ccccc32)cc1.CC(O)=CC(C)O.CC1(C)c2ccccc2Oc2c[c-]c(-c3ccccn3)cc21.CCC(CC)C(O)=CC(O)C(CC)CC.CN1c2c[c-]c(-c3ccccn3)cc2N(C)c2ccccc21.OC(=CC(O)c1ccccc1)c1ccccc1.[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(c1-c1ccccn1)Oc1ccccc1O2.
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)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?
The InChIKey is UQQSJLOUKNOCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N2O.C20H16NO.C19H16N3.C17H10NO2.C15H14O2.C13H26O2.C11H22O2.C5H10O2.4Ir/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;1-20(2)15-7-3-4-9-18(15)22-19-11-10-14(13-16(19)20)17-8-5-6-12-21-17;1-21-16-8-3-4-9-17(16)22(2)19-13-14(10-11-18(19)21)15-7-5-6-12-20-15;1-2-9-15-14(8-1)19-16-10-5-6-12(17(16)20-15)13-7-3-4-11-18-13;16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;1-10(2,3)8(12)7-9(13)11(4,5)6;1-4(6)3-5(2)7;;;;/h4-17H,1-3H3;2*3-9,11-13H,1-2H3;1-5,7-11H;1-11,14,16-17H;9-12,14-15H,5-8H2,1-4H3;7-8,12-13H,1-6H3;3-4,6-7H,1-2H3;;;;/q4*-1;;;;;;;;.
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)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?
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 has a molecular weight of 2722.40 g/mol, XLogP of 31.93, 17 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)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 is sourced from PubChem (CID 162279111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).