7-(4-tert-butyl-1H-anthracen-1-id-2-yl)-2,3-dimethylthieno[2,3-c]pyridine;4-(4-tert-butyl-1H-anthracen-1-id-2-yl)-6,7-dimethylthieno[3,2-d]pyrimidine;7-(4-tert-butyl-1H-anthracen-1-id-2-yl)-3-methyl-2-(2-methylpropyl)thieno[2,3-c]pyridine;4-(4-tert-butyl-1H-anthracen-1-id-2-yl)-7-methyl-6-(2-methylpropyl)thieno[3,2-d]pyrimidine;tetrakis(3,7-diethyl-1,1,1-trifluoro-6-hydroxynon-5-en-4-one);tetrakis(iridium)

C164H190F12Ir4N6O8S4-4 — CID 163654130

IUPAC7-(4-tert-butyl-1H-anthracen-1-id-2-yl)-2,3-dimethylthieno[2,3-c]pyridine;4-(4-tert-butyl-1H-anthracen-1-id-2-yl)-6,7-dimethylthieno[3,2-d]pyrimidine;7-(4-tert-butyl-1H-anthracen-1-id-2-yl)-3-methyl-2-(2-methylpropyl)thieno[2,3-c]pyridine;4-(4-tert-butyl-1H-anthracen-1-id-2-yl)-7-methyl-6-(2-methylpropyl)thieno[3,2-d]pyrimidine;tetrakis(3,7-diethyl-1,1,1-trifluoro-6-hydroxynon-5-en-4-one);tetrakis(iridium)
SMILESCCC(CC(F)(F)F)C(=O)C=C(O)C(CC)CC.CCC(CC(F)(F)F)C(=O)C=C(O)C(CC)CC.CCC(CC(F)(F)F)C(=O)C=C(O)C(CC)CC.CCC(CC(F)(F)F)C(=O)C=C(O)C(CC)CC.Cc1c(CC(C)C)sc2c(-c3[c-]c4cc5ccccc5cc4c(C(C)(C)C)c3)nccc12.Cc1c(CC(C)C)sc2c(-c3[c-]c4cc5ccccc5cc4c(C(C)(C)C)c3)ncnc12.Cc1sc2c(-c3[c-]c4cc5ccccc5cc4c(C(C)(C)C)c3)nccc2c1C.Cc1sc2c(-c3[c-]c4cc5ccccc5cc4c(C(C)(C)C)c3)ncnc2c1C.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C30H30NS.C29H29N2S.C27H24NS.C26H23N2S.4C13H21F3O2.4Ir/c1-18(2)13-27-19(3)24-11-12-31-28(29(24)32-27)23-15-22-14-20-9-7-8-10-21(20)16-25(22)26(17-23)30(4,5)6;1-17(2)11-25-18(3)26-28(32-25)27(31-16-30-26)22-13-21-12-19-9-7-8-10-20(19)14-23(21)24(15-22)29(4,5)6;1-16-17(2)29-26-22(16)10-11-28-25(26)21-13-20-12-18-8-6-7-9-19(18)14-23(20)24(15-21)27(3,4)5;1-15-16(2)29-25-23(15)27-14-28-24(25)20-11-19-10-17-8-6-7-9-18(17)12-21(19)22(13-20)26(3,4)5;4*1-4-9(5-2)11(17)7-12(18)10(6-3)8-13(14,15)16;;;;/h7-12,14,16-18H,13H2,1-6H3;7-10,12,14-17H,11H2,1-6H3;6-12,14-15H,1-5H3;6-10,12-14H,1-5H3;4*7,9-10,17H,4-6,8H2,1-3H3;;;;/q4*-1;;;;;;;;
InChIKeyAXCKSPNINKKGPC-UHFFFAOYSA-N
MW3498.47 g/mol
LogP50.15
Rot. Bonds36

About 7-(4-tert-butyl-1H-anthracen-1-id-2-yl)-2,3-dimethylthieno[2,3-c]pyridine;4-(4-tert-butyl-1H-anthracen-1-id-2-yl)-6,7-dimethylthieno[3,2-d]pyrimidine;7-(4-tert-butyl-1H-anthracen-1-id-2-yl)-3-methyl-2-(2-methylpropyl)thieno[2,3-c]pyridine;4-(4-tert-butyl-1H-anthracen-1-id-2-yl)-7-methyl-6-(2-methylpropyl)thieno[3,2-d]pyrimidine;tetrakis(3,7-diethyl-1,1,1-trifluoro-6-hydroxynon-5-en-4-one);tetrakis(iridium)

7-(4-tert-butyl-1H-anthracen-1-id-2-yl)-2,3-dimethylthieno[2,3-c]pyridine;4-(4-tert-butyl-1H-anthracen-1-id-2-yl)-6,7-dimethylthieno[3,2-d]pyrimidine;7-(4-tert-butyl-1H-anthracen-1-id-2-yl)-3-methyl-2-(2-methylpropyl)thieno[2,3-c]pyridine;4-(4-tert-butyl-1H-anthracen-1-id-2-yl)-7-methyl-6-(2-methylpropyl)thieno[3,2-d]pyrimidine;tetrakis(3,7-diethyl-1,1,1-trifluoro-6-hydroxynon-5-en-4-one);tetrakis(iridium) (PubChem CID 163654130) has the molecular formula C164H190F12Ir4N6O8S4-4 and a molecular weight of 3498.47 g/mol. Its IUPAC name is 7-(4-tert-butyl-1H-anthracen-1-id-2-yl)-2,3-dimethylthieno[2,3-c]pyridine;4-(4-tert-butyl-1H-anthracen-1-id-2-yl)-6,7-dimethylthieno[3,2-d]pyrimidine;7-(4-tert-butyl-1H-anthracen-1-id-2-yl)-3-methyl-2-(2-methylpropyl)thieno[2,3-c]pyridine;4-(4-tert-butyl-1H-anthracen-1-id-2-yl)-7-methyl-6-(2-methylpropyl)thieno[3,2-d]pyrimidine;tetrakis(3,7-diethyl-1,1,1-trifluoro-6-hydroxynon-5-en-4-one);tetrakis(iridium).

Molecular Properties

Compound Name7-(4-tert-butyl-1H-anthracen-1-id-2-yl)-2,3-dimethylthieno[2,3-c]pyridine;4-(4-tert-butyl-1H-anthracen-1-id-2-yl)-6,7-dimethylthieno[3,2-d]pyrimidine;7-(4-tert-butyl-1H-anthracen-1-id-2-yl)-3-methyl-2-(2-methylpropyl)thieno[2,3-c]pyridine;4-(4-tert-butyl-1H-anthracen-1-id-2-yl)-7-methyl-6-(2-methylpropyl)thieno[3,2-d]pyrimidine;tetrakis(3,7-diethyl-1,1,1-trifluoro-6-hydroxynon-5-en-4-one);tetrakis(iridium)
PubChem CID163654130
Molecular FormulaC164H190F12Ir4N6O8S4-4
Molecular Weight3498.47 g/mol
Exact Mass3499.19
IUPAC Name7-(4-tert-butyl-1H-anthracen-1-id-2-yl)-2,3-dimethylthieno[2,3-c]pyridine;4-(4-tert-butyl-1H-anthracen-1-id-2-yl)-6,7-dimethylthieno[3,2-d]pyrimidine;7-(4-tert-butyl-1H-anthracen-1-id-2-yl)-3-methyl-2-(2-methylpropyl)thieno[2,3-c]pyridine;4-(4-tert-butyl-1H-anthracen-1-id-2-yl)-7-methyl-6-(2-methylpropyl)thieno[3,2-d]pyrimidine;tetrakis(3,7-diethyl-1,1,1-trifluoro-6-hydroxynon-5-en-4-one);tetrakis(iridium)
SMILESCCC(CC(F)(F)F)C(=O)C=C(O)C(CC)CC.CCC(CC(F)(F)F)C(=O)C=C(O)C(CC)CC.CCC(CC(F)(F)F)C(=O)C=C(O)C(CC)CC.CCC(CC(F)(F)F)C(=O)C=C(O)C(CC)CC.Cc1c(CC(C)C)sc2c(-c3[c-]c4cc5ccccc5cc4c(C(C)(C)C)c3)nccc12.Cc1c(CC(C)C)sc2c(-c3[c-]c4cc5ccccc5cc4c(C(C)(C)C)c3)ncnc12.Cc1sc2c(-c3[c-]c4cc5ccccc5cc4c(C(C)(C)C)c3)nccc2c1C.Cc1sc2c(-c3[c-]c4cc5ccccc5cc4c(C(C)(C)C)c3)ncnc2c1C.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C30H30NS.C29H29N2S.C27H24NS.C26H23N2S.4C13H21F3O2.4Ir/c1-18(2)13-27-19(3)24-11-12-31-28(29(24)32-27)23-15-22-14-20-9-7-8-10-21(20)16-25(22)26(17-23)30(4,5)6;1-17(2)11-25-18(3)26-28(32-25)27(31-16-30-26)22-13-21-12-19-9-7-8-10-20(19)14-23(21)24(15-22)29(4,5)6;1-16-17(2)29-26-22(16)10-11-28-25(26)21-13-20-12-18-8-6-7-9-19(18)14-23(20)24(15-21)27(3,4)5;1-15-16(2)29-25-23(15)27-14-28-24(25)20-11-19-10-17-8-6-7-9-18(17)12-21(19)22(13-20)26(3,4)5;4*1-4-9(5-2)11(17)7-12(18)10(6-3)8-13(14,15)16;;;;/h7-12,14,16-18H,13H2,1-6H3;7-10,12,14-17H,11H2,1-6H3;6-12,14-15H,1-5H3;6-10,12-14H,1-5H3;4*7,9-10,17H,4-6,8H2,1-3H3;;;;/q4*-1;;;;;;;;
InChIKeyAXCKSPNINKKGPC-UHFFFAOYSA-N
XLogP50.15
TPSA226.54 Ų
H-Bond Donors4
H-Bond Acceptors18
Rotatable Bonds36
Heavy Atoms198
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003498.47
LogP ≤ 550.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 7-(4-tert-butyl-1H-anthracen-1-id-2-yl)-2,3-dimethylthieno[2,3-c]pyridine;4-(4-tert-butyl-1H-anthracen-1-id-2-yl)-6,7-dimethylthieno[3,2-d]pyrimidine;7-(4-tert-butyl-1H-anthracen-1-id-2-yl)-3-methyl-2-(2-methylpropyl)thieno[2,3-c]pyridine;4-(4-tert-butyl-1H-anthracen-1-id-2-yl)-7-methyl-6-(2-methylpropyl)thieno[3,2-d]pyrimidine;tetrakis(3,7-diethyl-1,1,1-trifluoro-6-hydroxynon-5-en-4-one);tetrakis(iridium) with MolForge

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Related Compounds

4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-(2-cyclopentyl-4-methylthiophen-3-yl)pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-[5-[4-(2,2-dimethylpropyl)phenyl]-2-methylthiophen-3-yl]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-[2-methyl-5-[3-(trifluoromethyl)phenyl]thiophen-3-yl]pyrimidine;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);tris(iridium)
CID 157093504
4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-(4-tert-butylnaphthalen-2-yl)pyrimidine;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);tris(iridium);4-(3H-naphthalen-3-id-2-yl)-6-naphthalen-2-ylpyrimidine;2-(3H-naphthalen-3-id-2-yl)-4-(4-phenylphenyl)-5-(trifluoromethyl)pyridine
CID 157103356
5-[1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)isoquinolin-6-yl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-[1,3]thiazolo[5,4-d][1,3]thiazole;5-[6-(4-tert-butyl-1H-naphthalen-1-id-2-yl)pyrimidin-4-yl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-[1,3]thiazolo[5,4-d][1,3]thiazole;5-[2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)quinolin-4-yl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-[1,3]thiazolo[5,4-d][1,3]thiazole;7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-3-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazol-2-yl]thieno[2,3-c]pyridine;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium)
CID 157181845
4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-[4-[4-(2,2-dimethylpropyl)phenyl]-2,6-difluorophenyl]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-[4-[4-(2,2-dimethylpropyl)phenyl]-2-fluoro-6-methylphenyl]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-[4-[4-(2,2-dimethylpropyl)phenyl]-2-(trifluoromethyl)phenyl]pyrimidine;2-[2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-5-methyl-4-pyridinyl]-1,3-benzothiazole;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium);methane
CID 157199857
tetrakis(1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-(2,2-dimethylpropyl)-[1]benzothiolo[2,3-c]pyridine);3,7-diethyl-9,9,9-trifluoro-6-hydroxynon-5-en-4-one;2,2-difluoro-5-hydroxy-7-methyloct-4-en-3-one;2,2-difluoro-6-hydroxy-3,3,7,7-tetramethyloct-5-en-4-one;2,2-difluoro-6-hydroxy-3,3,7-trimethyloct-5-en-4-one;tetrakis(iridium)
CID 157327462
tris(1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-8-(2-methylpropyl)-[1]benzothiolo[2,3-c]pyridine);1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-8-spiro[5.5]undecan-3-yl-[1]benzothiolo[2,3-c]pyridine;1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-8-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]-[1]benzothiolo[2,3-c]pyridine;3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;bis(3,7-diethyl-6-hydroxynon-5-en-4-one);bis(6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one);pentakis(iridium)
CID 157429717
tetrakis(1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-8-(3,3,3-trifluoro-2,2-dimethylpropyl)-[1]benzothiolo[2,3-c]pyridine);3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;3,7-diethyl-6-hydroxynon-5-en-4-one;6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one;tetrakis(iridium);6,6,6-trifluoro-5-hydroxy-2-methylhex-4-en-3-one
CID 157445396
pentakis(1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-8-(3,3,3-trifluoro-2,2-dimethylpropyl)-[1]benzothiolo[2,3-c]pyridine);3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;3,7-diethyl-6-hydroxynon-5-en-4-one;6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one;2-hydroxy-6-methylhept-2-en-4-one;pentakis(iridium);6,6,6-trifluoro-5-hydroxy-2-methylhex-4-en-3-one
CID 157648521
bis(1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-(2,2-dimethylpropyl)-[1]benzothiolo[2,3-c]pyridine);bis(1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-8-methyl-7-(3,3,3-trifluoro-2,2-dimethylpropyl)-[1]benzothiolo[2,3-c]pyridine);3,7-diethyl-6-hydroxynon-5-en-4-one;3,7-diethyl-9,9,9-trifluoro-6-hydroxynon-5-en-4-one;2,2-difluoro-6-hydroxy-3,3,7,7-tetramethyloct-5-en-4-one;6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one;tetrakis(iridium)
CID 157649643
4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-(4,4-dimethylcyclohexyl)-[1]benzothiolo[3,2-d]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-(2,2-dimethylpropyl)-[1]benzothiolo[3,2-d]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-(2-methylpropyl)-[1]benzothiolo[3,2-d]pyrimidine;pentakis(3,7-diethyl-6-hydroxynon-5-en-4-one);4-(3,5-dimethylbenzene-6-id-1-yl)-6-(2-methylpropyl)-[1]benzothiolo[3,2-d]pyrimidine;4-(3,5-dimethylbenzene-6-id-1-yl)-6-(3,3,3-trifluoro-2,2-dimethylpropyl)-[1]benzothiolo[3,2-d]pyrimidine;pentakis(iridium)
CID 157691281
2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(4,4-dimethylcyclohexyl)-5,7-dimethylquinoline;1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-8-(2,2-dimethylpropyl)-[1]benzothiolo[2,3-c]pyridine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-methyl-6-(3,3,3-trifluoropropyl)thieno[3,2-d]pyrimidine;6-cyclopentyl-1-[4-(4,4-dimethylcyclohexyl)-1H-naphthalen-1-id-2-yl]isoquinoline;3,7-diethyl-6-hydroxy-3-(trifluoromethyl)non-5-en-4-one;1-(4,4-dimethylcyclohexyl)-5,5,5-trifluoro-1-hydroxy-4,4-dimethylpent-1-en-3-one;3-ethyl-6-hydroxy-7-methyl-3-(trifluoromethyl)oct-5-en-4-one;6-ethyl-1,1,1-trifluoro-5-hydroxy-2,2,6-trimethyloct-4-en-3-one;tetrakis(iridium)
CID 157741917
2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-cyclopentyl-5,7-dimethylquinoline;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(4,4-dimethylcyclohexyl)-5,7-dimethylquinoline;1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-8-(2,2-dimethylpropyl)-[1]benzothiolo[2,3-c]pyridine;7-fluoro-6-hydroxy-2,7-dimethyloct-5-en-4-one;1,1,1,8,8,8-hexafluoro-6-hydroxy-2,2,7,7-tetramethyloct-5-en-4-one;tetrakis(iridium);1-[4-(3-methylpentan-3-yl)-1H-naphthalen-1-id-2-yl]-8-(2-methylpropyl)-[1]benzothiolo[2,3-c]pyridine;1,1,1-trifluoro-5-hydroxy-2,2,6-trimethylhept-4-en-3-one;1,1,1-trifluoro-3-hydroxy-2,2,8-trimethylnon-3-en-5-one
CID 157764526

Frequently Asked Questions

What is the IUPAC name of 7-(4-tert-butyl-1H-anthracen-1-id-2-yl)-2,3-dimethylthieno[2,3-c]pyridine;4-(4-tert-butyl-1H-anthracen-1-id-2-yl)-6,7-dimethylthieno[3,2-d]pyrimidine;7-(4-tert-butyl-1H-anthracen-1-id-2-yl)-3-methyl-2-(2-methylpropyl)thieno[2,3-c]pyridine;4-(4-tert-butyl-1H-anthracen-1-id-2-yl)-7-methyl-6-(2-methylpropyl)thieno[3,2-d]pyrimidine;tetrakis(3,7-diethyl-1,1,1-trifluoro-6-hydroxynon-5-en-4-one);tetrakis(iridium)?
The IUPAC name of 7-(4-tert-butyl-1H-anthracen-1-id-2-yl)-2,3-dimethylthieno[2,3-c]pyridine;4-(4-tert-butyl-1H-anthracen-1-id-2-yl)-6,7-dimethylthieno[3,2-d]pyrimidine;7-(4-tert-butyl-1H-anthracen-1-id-2-yl)-3-methyl-2-(2-methylpropyl)thieno[2,3-c]pyridine;4-(4-tert-butyl-1H-anthracen-1-id-2-yl)-7-methyl-6-(2-methylpropyl)thieno[3,2-d]pyrimidine;tetrakis(3,7-diethyl-1,1,1-trifluoro-6-hydroxynon-5-en-4-one);tetrakis(iridium) (CID 163654130) is 7-(4-tert-butyl-1H-anthracen-1-id-2-yl)-2,3-dimethylthieno[2,3-c]pyridine;4-(4-tert-butyl-1H-anthracen-1-id-2-yl)-6,7-dimethylthieno[3,2-d]pyrimidine;7-(4-tert-butyl-1H-anthracen-1-id-2-yl)-3-methyl-2-(2-methylpropyl)thieno[2,3-c]pyridine;4-(4-tert-butyl-1H-anthracen-1-id-2-yl)-7-methyl-6-(2-methylpropyl)thieno[3,2-d]pyrimidine;tetrakis(3,7-diethyl-1,1,1-trifluoro-6-hydroxynon-5-en-4-one);tetrakis(iridium).
What is the SMILES notation for 7-(4-tert-butyl-1H-anthracen-1-id-2-yl)-2,3-dimethylthieno[2,3-c]pyridine;4-(4-tert-butyl-1H-anthracen-1-id-2-yl)-6,7-dimethylthieno[3,2-d]pyrimidine;7-(4-tert-butyl-1H-anthracen-1-id-2-yl)-3-methyl-2-(2-methylpropyl)thieno[2,3-c]pyridine;4-(4-tert-butyl-1H-anthracen-1-id-2-yl)-7-methyl-6-(2-methylpropyl)thieno[3,2-d]pyrimidine;tetrakis(3,7-diethyl-1,1,1-trifluoro-6-hydroxynon-5-en-4-one);tetrakis(iridium)?
The canonical SMILES for 7-(4-tert-butyl-1H-anthracen-1-id-2-yl)-2,3-dimethylthieno[2,3-c]pyridine;4-(4-tert-butyl-1H-anthracen-1-id-2-yl)-6,7-dimethylthieno[3,2-d]pyrimidine;7-(4-tert-butyl-1H-anthracen-1-id-2-yl)-3-methyl-2-(2-methylpropyl)thieno[2,3-c]pyridine;4-(4-tert-butyl-1H-anthracen-1-id-2-yl)-7-methyl-6-(2-methylpropyl)thieno[3,2-d]pyrimidine;tetrakis(3,7-diethyl-1,1,1-trifluoro-6-hydroxynon-5-en-4-one);tetrakis(iridium) is CCC(CC(F)(F)F)C(=O)C=C(O)C(CC)CC.CCC(CC(F)(F)F)C(=O)C=C(O)C(CC)CC.CCC(CC(F)(F)F)C(=O)C=C(O)C(CC)CC.CCC(CC(F)(F)F)C(=O)C=C(O)C(CC)CC.Cc1c(CC(C)C)sc2c(-c3[c-]c4cc5ccccc5cc4c(C(C)(C)C)c3)nccc12.Cc1c(CC(C)C)sc2c(-c3[c-]c4cc5ccccc5cc4c(C(C)(C)C)c3)ncnc12.Cc1sc2c(-c3[c-]c4cc5ccccc5cc4c(C(C)(C)C)c3)nccc2c1C.Cc1sc2c(-c3[c-]c4cc5ccccc5cc4c(C(C)(C)C)c3)ncnc2c1C.[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of 7-(4-tert-butyl-1H-anthracen-1-id-2-yl)-2,3-dimethylthieno[2,3-c]pyridine;4-(4-tert-butyl-1H-anthracen-1-id-2-yl)-6,7-dimethylthieno[3,2-d]pyrimidine;7-(4-tert-butyl-1H-anthracen-1-id-2-yl)-3-methyl-2-(2-methylpropyl)thieno[2,3-c]pyridine;4-(4-tert-butyl-1H-anthracen-1-id-2-yl)-7-methyl-6-(2-methylpropyl)thieno[3,2-d]pyrimidine;tetrakis(3,7-diethyl-1,1,1-trifluoro-6-hydroxynon-5-en-4-one);tetrakis(iridium)?
The InChIKey is AXCKSPNINKKGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30NS.C29H29N2S.C27H24NS.C26H23N2S.4C13H21F3O2.4Ir/c1-18(2)13-27-19(3)24-11-12-31-28(29(24)32-27)23-15-22-14-20-9-7-8-10-21(20)16-25(22)26(17-23)30(4,5)6;1-17(2)11-25-18(3)26-28(32-25)27(31-16-30-26)22-13-21-12-19-9-7-8-10-20(19)14-23(21)24(15-22)29(4,5)6;1-16-17(2)29-26-22(16)10-11-28-25(26)21-13-20-12-18-8-6-7-9-19(18)14-23(20)24(15-21)27(3,4)5;1-15-16(2)29-25-23(15)27-14-28-24(25)20-11-19-10-17-8-6-7-9-18(17)12-21(19)22(13-20)26(3,4)5;4*1-4-9(5-2)11(17)7-12(18)10(6-3)8-13(14,15)16;;;;/h7-12,14,16-18H,13H2,1-6H3;7-10,12,14-17H,11H2,1-6H3;6-12,14-15H,1-5H3;6-10,12-14H,1-5H3;4*7,9-10,17H,4-6,8H2,1-3H3;;;;/q4*-1;;;;;;;;.
What are the key properties of 7-(4-tert-butyl-1H-anthracen-1-id-2-yl)-2,3-dimethylthieno[2,3-c]pyridine;4-(4-tert-butyl-1H-anthracen-1-id-2-yl)-6,7-dimethylthieno[3,2-d]pyrimidine;7-(4-tert-butyl-1H-anthracen-1-id-2-yl)-3-methyl-2-(2-methylpropyl)thieno[2,3-c]pyridine;4-(4-tert-butyl-1H-anthracen-1-id-2-yl)-7-methyl-6-(2-methylpropyl)thieno[3,2-d]pyrimidine;tetrakis(3,7-diethyl-1,1,1-trifluoro-6-hydroxynon-5-en-4-one);tetrakis(iridium)?
7-(4-tert-butyl-1H-anthracen-1-id-2-yl)-2,3-dimethylthieno[2,3-c]pyridine;4-(4-tert-butyl-1H-anthracen-1-id-2-yl)-6,7-dimethylthieno[3,2-d]pyrimidine;7-(4-tert-butyl-1H-anthracen-1-id-2-yl)-3-methyl-2-(2-methylpropyl)thieno[2,3-c]pyridine;4-(4-tert-butyl-1H-anthracen-1-id-2-yl)-7-methyl-6-(2-methylpropyl)thieno[3,2-d]pyrimidine;tetrakis(3,7-diethyl-1,1,1-trifluoro-6-hydroxynon-5-en-4-one);tetrakis(iridium) has a molecular weight of 3498.47 g/mol, XLogP of 50.15, 36 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-tert-butyl-1H-anthracen-1-id-2-yl)-2,3-dimethylthieno[2,3-c]pyridine;4-(4-tert-butyl-1H-anthracen-1-id-2-yl)-6,7-dimethylthieno[3,2-d]pyrimidine;7-(4-tert-butyl-1H-anthracen-1-id-2-yl)-3-methyl-2-(2-methylpropyl)thieno[2,3-c]pyridine;4-(4-tert-butyl-1H-anthracen-1-id-2-yl)-7-methyl-6-(2-methylpropyl)thieno[3,2-d]pyrimidine;tetrakis(3,7-diethyl-1,1,1-trifluoro-6-hydroxynon-5-en-4-one);tetrakis(iridium) is sourced from PubChem (CID 163654130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).