bis(10-(4-tert-butylphenyl)-3-pyridin-2-yl-4H-phenoxazin-4-ide);5-cyclohexyl-2-(8-cyclohexyl-3H-dibenzofuran-3-id-4-yl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-(2H-dibenzo-p-dioxin-2-id-1-yl)-5-(trifluoromethyl)pyridine;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;2-(5,5-diphenyl-3H-benzo[b][1]benzosilol-3-id-4-yl)pyridine;pentakis(iridium);9-methyl-1-pyridin-2-yl-2H-carbazol-2-ide

C213H169F3Ir5N13O8Si-9 — CID 159450534

IUPACbis(10-(4-tert-butylphenyl)-3-pyridin-2-yl-4H-phenoxazin-4-ide);5-cyclohexyl-2-(8-cyclohexyl-3H-dibenzofuran-3-id-4-yl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-(2H-dibenzo-p-dioxin-2-id-1-yl)-5-(trifluoromethyl)pyridine;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;2-(5,5-diphenyl-3H-benzo[b][1]benzosilol-3-id-4-yl)pyridine;pentakis(iridium);9-methyl-1-pyridin-2-yl-2H-carbazol-2-ide
SMILESCC(C)(C)c1ccc(N2c3ccc(-c4ccccn4)[c-]c3Oc3ccccc32)cc1.CC(C)(C)c1ccc(N2c3ccc(-c4ccccn4)[c-]c3Oc3ccccc32)cc1.CC1(C)c2ccccc2Oc2cc[c-]c(-c3ccc(-c4ccccc4)cn3)c21.Cn1c2ccccc2c2cc[c-]c(-c3ccccn3)c21.FC(F)(F)c1ccc(-c2[c-]ccc3c2Oc2ccccc2O3)nc1.[2H]C([2H])([2H])N1c2cc[c-]c(-c3cc(C)c(C)cn3)c2Oc2c1ccc(C)c2C.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(c1-c1ccccn1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1-2.[c-]1ccc2c(oc3ccc(C4CCCCC4)cc32)c1-c1ccc(C2CCCCC2)cn1.[c-]1ccc2c(oc3ccccc32)c1-c1ccccn1
InChIInChI=1S/C29H30NO.C29H20NSi.2C27H23N2O.C26H20NO.C22H21N2O.C18H9F3NO2.C18H13N2.C17H10NO.5Ir/c1-3-8-20(9-4-1)22-15-17-28-26(18-22)24-12-7-13-25(29(24)31-28)27-16-14-23(19-30-27)21-10-5-2-6-11-21;1-3-12-22(13-4-1)31(23-14-5-2-6-15-23)28-20-8-7-16-24(28)25-17-11-18-26(29(25)31)27-19-9-10-21-30-27;2*1-27(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;1-26(2)21-12-6-7-13-23(21)28-24-14-8-11-20(25(24)26)22-16-15-19(17-27-22)18-9-4-3-5-10-18;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;19-18(20,21)11-8-9-13(22-10-11)12-4-3-7-16-17(12)24-15-6-2-1-5-14(15)23-16;1-20-17-11-3-2-7-13(17)14-8-6-9-15(18(14)20)16-10-4-5-12-19-16;1-2-10-16-12(6-1)13-7-5-8-14(17(13)19-16)15-9-3-4-11-18-15;;;;;/h7,12,14-21H,1-6,8-11H2;1-17,19-21H;2*4-17H,1-3H3;3-10,12-17H,1-2H3;6,8-12H,1-5H3;1-3,5-10H;2-8,10-12H,1H3;1-7,9-11H;;;;;/q9*-1;;;;;/i;;;;;5D3;;;;;;;;
InChIKeyKDTLPGSRFALCIA-QULNIDEZSA-N
MW4087.96 g/mol
LogP53.69
Rot. Bonds17

About bis(10-(4-tert-butylphenyl)-3-pyridin-2-yl-4H-phenoxazin-4-ide);5-cyclohexyl-2-(8-cyclohexyl-3H-dibenzofuran-3-id-4-yl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-(2H-dibenzo-p-dioxin-2-id-1-yl)-5-(trifluoromethyl)pyridine;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;2-(5,5-diphenyl-3H-benzo[b][1]benzosilol-3-id-4-yl)pyridine;pentakis(iridium);9-methyl-1-pyridin-2-yl-2H-carbazol-2-ide

bis(10-(4-tert-butylphenyl)-3-pyridin-2-yl-4H-phenoxazin-4-ide);5-cyclohexyl-2-(8-cyclohexyl-3H-dibenzofuran-3-id-4-yl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-(2H-dibenzo-p-dioxin-2-id-1-yl)-5-(trifluoromethyl)pyridine;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;2-(5,5-diphenyl-3H-benzo[b][1]benzosilol-3-id-4-yl)pyridine;pentakis(iridium);9-methyl-1-pyridin-2-yl-2H-carbazol-2-ide (PubChem CID 159450534) has the molecular formula C213H169F3Ir5N13O8Si-9 and a molecular weight of 4087.96 g/mol. Its IUPAC name is bis(10-(4-tert-butylphenyl)-3-pyridin-2-yl-4H-phenoxazin-4-ide);5-cyclohexyl-2-(8-cyclohexyl-3H-dibenzofuran-3-id-4-yl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-(2H-dibenzo-p-dioxin-2-id-1-yl)-5-(trifluoromethyl)pyridine;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;2-(5,5-diphenyl-3H-benzo[b][1]benzosilol-3-id-4-yl)pyridine;pentakis(iridium);9-methyl-1-pyridin-2-yl-2H-carbazol-2-ide.

Molecular Properties

Compound Namebis(10-(4-tert-butylphenyl)-3-pyridin-2-yl-4H-phenoxazin-4-ide);5-cyclohexyl-2-(8-cyclohexyl-3H-dibenzofuran-3-id-4-yl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-(2H-dibenzo-p-dioxin-2-id-1-yl)-5-(trifluoromethyl)pyridine;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;2-(5,5-diphenyl-3H-benzo[b][1]benzosilol-3-id-4-yl)pyridine;pentakis(iridium);9-methyl-1-pyridin-2-yl-2H-carbazol-2-ide
PubChem CID159450534
Molecular FormulaC213H169F3Ir5N13O8Si-9
Molecular Weight4087.96 g/mol
Exact Mass4089.13
IUPAC Namebis(10-(4-tert-butylphenyl)-3-pyridin-2-yl-4H-phenoxazin-4-ide);5-cyclohexyl-2-(8-cyclohexyl-3H-dibenzofuran-3-id-4-yl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-(2H-dibenzo-p-dioxin-2-id-1-yl)-5-(trifluoromethyl)pyridine;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;2-(5,5-diphenyl-3H-benzo[b][1]benzosilol-3-id-4-yl)pyridine;pentakis(iridium);9-methyl-1-pyridin-2-yl-2H-carbazol-2-ide
SMILESCC(C)(C)c1ccc(N2c3ccc(-c4ccccn4)[c-]c3Oc3ccccc32)cc1.CC(C)(C)c1ccc(N2c3ccc(-c4ccccn4)[c-]c3Oc3ccccc32)cc1.CC1(C)c2ccccc2Oc2cc[c-]c(-c3ccc(-c4ccccc4)cn3)c21.Cn1c2ccccc2c2cc[c-]c(-c3ccccn3)c21.FC(F)(F)c1ccc(-c2[c-]ccc3c2Oc2ccccc2O3)nc1.[2H]C([2H])([2H])N1c2cc[c-]c(-c3cc(C)c(C)cn3)c2Oc2c1ccc(C)c2C.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(c1-c1ccccn1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1-2.[c-]1ccc2c(oc3ccc(C4CCCCC4)cc32)c1-c1ccc(C2CCCCC2)cn1.[c-]1ccc2c(oc3ccccc32)c1-c1ccccn1
InChIInChI=1S/C29H30NO.C29H20NSi.2C27H23N2O.C26H20NO.C22H21N2O.C18H9F3NO2.C18H13N2.C17H10NO.5Ir/c1-3-8-20(9-4-1)22-15-17-28-26(18-22)24-12-7-13-25(29(24)31-28)27-16-14-23(19-30-27)21-10-5-2-6-11-21;1-3-12-22(13-4-1)31(23-14-5-2-6-15-23)28-20-8-7-16-24(28)25-17-11-18-26(29(25)31)27-19-9-10-21-30-27;2*1-27(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;1-26(2)21-12-6-7-13-23(21)28-24-14-8-11-20(25(24)26)22-16-15-19(17-27-22)18-9-4-3-5-10-18;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;19-18(20,21)11-8-9-13(22-10-11)12-4-3-7-16-17(12)24-15-6-2-1-5-14(15)23-16;1-20-17-11-3-2-7-13(17)14-8-6-9-15(18(14)20)16-10-4-5-12-19-16;1-2-10-16-12(6-1)13-7-5-8-14(17(13)19-16)15-9-3-4-11-18-15;;;;;/h7,12,14-21H,1-6,8-11H2;1-17,19-21H;2*4-17H,1-3H3;3-10,12-17H,1-2H3;6,8-12H,1-5H3;1-3,5-10H;2-8,10-12H,1H3;1-7,9-11H;;;;;/q9*-1;;;;;/i;;;;;5D3;;;;;;;;
InChIKeyKDTLPGSRFALCIA-QULNIDEZSA-N
XLogP53.69
TPSA212.32 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds17
Heavy Atoms243
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004087.96
LogP ≤ 553.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze bis(10-(4-tert-butylphenyl)-3-pyridin-2-yl-4H-phenoxazin-4-ide);5-cyclohexyl-2-(8-cyclohexyl-3H-dibenzofuran-3-id-4-yl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-(2H-dibenzo-p-dioxin-2-id-1-yl)-5-(trifluoromethyl)pyridine;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;2-(5,5-diphenyl-3H-benzo[b][1]benzosilol-3-id-4-yl)pyridine;pentakis(iridium);9-methyl-1-pyridin-2-yl-2H-carbazol-2-ide with MolForge

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Related Compounds

2-(4-Tert-butylphenyl)-5-(3-pyridin-2-ylbenzene-4-id-1-yl)-1,3,4-oxadiazole;2-[3-(3,4-dibutoxyphenyl)benzene-6-id-1-yl]pyridine;2-[3-(2,5-dimethylphenyl)benzene-6-id-1-yl]pyridine;pentakis(iridium);9-(3-pyridin-2-ylbenzene-4-id-1-yl)carbazole;2-(3-pyridin-2-ylbenzene-4-id-1-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 159043744
1-(1,7-Difluoro-2,3-dimethyldibenzofuran-4-yl)-2-methylisoquinolin-2-ium;1-(7,9-difluoro-2,3-dimethyldibenzofuran-4-yl)-2-methylisoquinolin-2-ium;1-(7,9-difluoro-3-methyldibenzofuran-4-yl)-6-(2,2-dimethylpropyl)-2-methylisoquinolin-2-ium;1-(7,9-difluoro-3-methyldibenzofuran-4-yl)-2-methyl-6-(3,3,3-trifluoro-2,2-dimethylpropyl)isoquinolin-2-ium;1-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-2-methylisoquinolin-2-ium
CID 159352793
1,1'-Biphenyl;dibenzofuran;1,3-diphenylbenzene;ethane;1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methoxybenzene;2-phenoxyethoxybenzene;9-phenylcarbazole;1-phenyl-2-(2-phenylphenyl)benzene;3-phenylpyridine;tris(pyridine);3-(3-pyridin-3-ylphenyl)pyridine;9,9'-spirobi[fluorene];toluene
CID 159578069
1,1'-Biphenyl;dibenzofuran;1,3-diphenylbenzene;ethane;1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methoxybenzene;2-phenoxyethoxybenzene;9-phenylcarbazole;3-phenylpyridine;tris(pyridine);3-(3-pyridin-3-ylphenyl)pyridine;9,9'-spirobi[fluorene];toluene
CID 159828601
CID 160103363
CID 160103363
1,1'-Biphenyl;dibenzofuran;1,3-diphenylbenzene;ethane;1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methoxybenzene;9-(4-methoxyphenyl)carbazole;2-phenoxyethoxybenzene;9-phenylcarbazole;1-phenyl-2-(2-phenylphenyl)benzene;3-phenylpyridine;tris(pyridine);3-(3-pyridin-3-ylphenyl)pyridine;9,9'-spirobi[fluorene];toluene
CID 160803679
2-[10,10-bis(4-fluorophenyl)-3H-benzo[b][1,4]benzoxasilin-3-id-4-yl]pyridine;5-cyclopentylpyridine-2-carboxylic acid;4-(4,5-dimethyl-2-pyridinyl)-6,7-dimethyl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;tris(iridium);pyridine-2-carboxylic acid;4-pyridin-2-yl-10-[4-(trifluoromethyl)phenyl]-3H-phenoxazin-3-ide;3,4,5,6-tetramethylpyridine-2-carboxylic acid
CID 161132441
9-[5-(4-Tert-butyl-2-pyridinyl)-2-[2-[3-[2-[4-(4-tert-butyl-2-pyridinyl)-2-carbazol-9-ylbenzene-5-id-1-yl]phenyl]-5-[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-4-id-1-yl]carbazole;2-[3-dibenzofuran-1-yl-4-[2-[3-[2-[2-dibenzofuran-1-yl-4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)-2-pyridinyl]benzene-5-id-1-yl]phenyl]-5-[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]-5-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine;bis(iridium(3+))
CID 161274929
5-cyclohexyl-2-(8-cyclohexyl-3H-dibenzofuran-3-id-4-yl)pyridine;4-(4,5-dimethyl-2-pyridinyl)-6,7-dimethyl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;iridium
CID 153432944
5-(3,5-Dipyridin-3-ylphenyl)-2-(12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl)pyridine;4-[6-(12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl)-3-pyridinyl]-2,6-diphenylpyridine;6-[6-(12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl)-3-pyridinyl]-9-phenylcarbazole-3-carbonitrile;2-(12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl)-5-(3-pyridin-2-ylphenyl)pyridine
CID 157156289
CID 157182455
CID 157182455
2-(6-Isocyano-3,7-dimethyl-1-propan-2-yldibenzofuran-4-yl)-1-methylpyridin-1-ium;2-(6-isocyano-3,7-dimethyl-8-propan-2-yldibenzofuran-4-yl)-1-methylpyridin-1-ium;2-(6-isocyano-3,7-dimethyl-9-propan-2-yldibenzofuran-4-yl)-1-methylpyridin-1-ium;2-(6-isocyano-1,3,9-trimethyldibenzofuran-4-yl)-1-methylpyridin-1-ium;2-(6-isocyano-3,8,9-trimethyldibenzofuran-4-yl)-1-methylpyridin-1-ium
CID 157211924

Frequently Asked Questions

What is the IUPAC name of bis(10-(4-tert-butylphenyl)-3-pyridin-2-yl-4H-phenoxazin-4-ide);5-cyclohexyl-2-(8-cyclohexyl-3H-dibenzofuran-3-id-4-yl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-(2H-dibenzo-p-dioxin-2-id-1-yl)-5-(trifluoromethyl)pyridine;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;2-(5,5-diphenyl-3H-benzo[b][1]benzosilol-3-id-4-yl)pyridine;pentakis(iridium);9-methyl-1-pyridin-2-yl-2H-carbazol-2-ide?
The IUPAC name of bis(10-(4-tert-butylphenyl)-3-pyridin-2-yl-4H-phenoxazin-4-ide);5-cyclohexyl-2-(8-cyclohexyl-3H-dibenzofuran-3-id-4-yl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-(2H-dibenzo-p-dioxin-2-id-1-yl)-5-(trifluoromethyl)pyridine;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;2-(5,5-diphenyl-3H-benzo[b][1]benzosilol-3-id-4-yl)pyridine;pentakis(iridium);9-methyl-1-pyridin-2-yl-2H-carbazol-2-ide (CID 159450534) is bis(10-(4-tert-butylphenyl)-3-pyridin-2-yl-4H-phenoxazin-4-ide);5-cyclohexyl-2-(8-cyclohexyl-3H-dibenzofuran-3-id-4-yl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-(2H-dibenzo-p-dioxin-2-id-1-yl)-5-(trifluoromethyl)pyridine;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;2-(5,5-diphenyl-3H-benzo[b][1]benzosilol-3-id-4-yl)pyridine;pentakis(iridium);9-methyl-1-pyridin-2-yl-2H-carbazol-2-ide.
What is the SMILES notation for bis(10-(4-tert-butylphenyl)-3-pyridin-2-yl-4H-phenoxazin-4-ide);5-cyclohexyl-2-(8-cyclohexyl-3H-dibenzofuran-3-id-4-yl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-(2H-dibenzo-p-dioxin-2-id-1-yl)-5-(trifluoromethyl)pyridine;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;2-(5,5-diphenyl-3H-benzo[b][1]benzosilol-3-id-4-yl)pyridine;pentakis(iridium);9-methyl-1-pyridin-2-yl-2H-carbazol-2-ide?
The canonical SMILES for bis(10-(4-tert-butylphenyl)-3-pyridin-2-yl-4H-phenoxazin-4-ide);5-cyclohexyl-2-(8-cyclohexyl-3H-dibenzofuran-3-id-4-yl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-(2H-dibenzo-p-dioxin-2-id-1-yl)-5-(trifluoromethyl)pyridine;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;2-(5,5-diphenyl-3H-benzo[b][1]benzosilol-3-id-4-yl)pyridine;pentakis(iridium);9-methyl-1-pyridin-2-yl-2H-carbazol-2-ide is CC(C)(C)c1ccc(N2c3ccc(-c4ccccn4)[c-]c3Oc3ccccc32)cc1.CC(C)(C)c1ccc(N2c3ccc(-c4ccccn4)[c-]c3Oc3ccccc32)cc1.CC1(C)c2ccccc2Oc2cc[c-]c(-c3ccc(-c4ccccc4)cn3)c21.Cn1c2ccccc2c2cc[c-]c(-c3ccccn3)c21.FC(F)(F)c1ccc(-c2[c-]ccc3c2Oc2ccccc2O3)nc1.[2H]C([2H])([2H])N1c2cc[c-]c(-c3cc(C)c(C)cn3)c2Oc2c1ccc(C)c2C.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(c1-c1ccccn1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1-2.[c-]1ccc2c(oc3ccc(C4CCCCC4)cc32)c1-c1ccc(C2CCCCC2)cn1.[c-]1ccc2c(oc3ccccc32)c1-c1ccccn1.
What is the InChIKey of bis(10-(4-tert-butylphenyl)-3-pyridin-2-yl-4H-phenoxazin-4-ide);5-cyclohexyl-2-(8-cyclohexyl-3H-dibenzofuran-3-id-4-yl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-(2H-dibenzo-p-dioxin-2-id-1-yl)-5-(trifluoromethyl)pyridine;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;2-(5,5-diphenyl-3H-benzo[b][1]benzosilol-3-id-4-yl)pyridine;pentakis(iridium);9-methyl-1-pyridin-2-yl-2H-carbazol-2-ide?
The InChIKey is KDTLPGSRFALCIA-QULNIDEZSA-N. The full InChI is InChI=1S/C29H30NO.C29H20NSi.2C27H23N2O.C26H20NO.C22H21N2O.C18H9F3NO2.C18H13N2.C17H10NO.5Ir/c1-3-8-20(9-4-1)22-15-17-28-26(18-22)24-12-7-13-25(29(24)31-28)27-16-14-23(19-30-27)21-10-5-2-6-11-21;1-3-12-22(13-4-1)31(23-14-5-2-6-15-23)28-20-8-7-16-24(28)25-17-11-18-26(29(25)31)27-19-9-10-21-30-27;2*1-27(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;1-26(2)21-12-6-7-13-23(21)28-24-14-8-11-20(25(24)26)22-16-15-19(17-27-22)18-9-4-3-5-10-18;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;19-18(20,21)11-8-9-13(22-10-11)12-4-3-7-16-17(12)24-15-6-2-1-5-14(15)23-16;1-20-17-11-3-2-7-13(17)14-8-6-9-15(18(14)20)16-10-4-5-12-19-16;1-2-10-16-12(6-1)13-7-5-8-14(17(13)19-16)15-9-3-4-11-18-15;;;;;/h7,12,14-21H,1-6,8-11H2;1-17,19-21H;2*4-17H,1-3H3;3-10,12-17H,1-2H3;6,8-12H,1-5H3;1-3,5-10H;2-8,10-12H,1H3;1-7,9-11H;;;;;/q9*-1;;;;;/i;;;;;5D3;;;;;;;;.
What are the key properties of bis(10-(4-tert-butylphenyl)-3-pyridin-2-yl-4H-phenoxazin-4-ide);5-cyclohexyl-2-(8-cyclohexyl-3H-dibenzofuran-3-id-4-yl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-(2H-dibenzo-p-dioxin-2-id-1-yl)-5-(trifluoromethyl)pyridine;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;2-(5,5-diphenyl-3H-benzo[b][1]benzosilol-3-id-4-yl)pyridine;pentakis(iridium);9-methyl-1-pyridin-2-yl-2H-carbazol-2-ide?
bis(10-(4-tert-butylphenyl)-3-pyridin-2-yl-4H-phenoxazin-4-ide);5-cyclohexyl-2-(8-cyclohexyl-3H-dibenzofuran-3-id-4-yl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-(2H-dibenzo-p-dioxin-2-id-1-yl)-5-(trifluoromethyl)pyridine;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;2-(5,5-diphenyl-3H-benzo[b][1]benzosilol-3-id-4-yl)pyridine;pentakis(iridium);9-methyl-1-pyridin-2-yl-2H-carbazol-2-ide has a molecular weight of 4087.96 g/mol, XLogP of 53.69, 17 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for bis(10-(4-tert-butylphenyl)-3-pyridin-2-yl-4H-phenoxazin-4-ide);5-cyclohexyl-2-(8-cyclohexyl-3H-dibenzofuran-3-id-4-yl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-(2H-dibenzo-p-dioxin-2-id-1-yl)-5-(trifluoromethyl)pyridine;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;2-(5,5-diphenyl-3H-benzo[b][1]benzosilol-3-id-4-yl)pyridine;pentakis(iridium);9-methyl-1-pyridin-2-yl-2H-carbazol-2-ide is sourced from PubChem (CID 159450534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).