7-(4-tert-butyl-1H-anthracen-1-id-2-yl)-2,3-dimethylthieno[2,3-c]pyridine;4-(5-tert-butyl-8H-benzo[f][1]benzothiol-8-id-7-yl)-8-(trifluoromethyl)quinazoline;4-(8-tert-butyl-5H-benzo[f][1]benzothiol-5-id-6-yl)-8-(trifluoromethyl)quinazoline;4-(5-tert-butyl-8H-benzo[f][1]benzothiol-8-id-7-yl)-5,6,7-trifluoro-8-(trifluoromethyl)quinazoline;3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium)

C156H175F12Ir4N7O8S4-4 — CID 163659890

IUPAC7-(4-tert-butyl-1H-anthracen-1-id-2-yl)-2,3-dimethylthieno[2,3-c]pyridine;4-(5-tert-butyl-8H-benzo[f][1]benzothiol-8-id-7-yl)-8-(trifluoromethyl)quinazoline;4-(8-tert-butyl-5H-benzo[f][1]benzothiol-5-id-6-yl)-8-(trifluoromethyl)quinazoline;4-(5-tert-butyl-8H-benzo[f][1]benzothiol-8-id-7-yl)-5,6,7-trifluoro-8-(trifluoromethyl)quinazoline;3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium)
SMILESCC(C)(C)c1cc(-c2ncnc3c(C(F)(F)F)c(F)c(F)c(F)c23)[c-]c2cc3sccc3cc12.CC(C)(C)c1cc(-c2ncnc3c(C(F)(F)F)cccc23)[c-]c2cc3ccsc3cc12.CC(C)(C)c1cc(-c2ncnc3c(C(F)(F)F)cccc23)[c-]c2cc3sccc3cc12.CCC(C)(CC)C(=O)C=C(O)C(C)(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.Cc1sc2c(-c3[c-]c4cc5ccccc5cc4c(C(C)(C)C)c3)nccc2c1C.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C27H24NS.C25H15F6N2S.2C25H18F3N2S.C15H28O2.3C13H24O2.4Ir/c1-16-17(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;1-24(2,3)15-8-13(6-12-9-16-11(4-5-34-16)7-14(12)15)22-17-19(26)21(28)20(27)18(25(29,30)31)23(17)33-10-32-22;1-24(2,3)20-11-16(9-15-12-21-14(7-8-31-21)10-18(15)20)22-17-5-4-6-19(25(26,27)28)23(17)30-13-29-22;1-24(2,3)20-11-16(10-15-9-14-7-8-31-21(14)12-18(15)20)22-17-5-4-6-19(25(26,27)28)23(17)30-13-29-22;1-7-14(5,8-2)12(16)11-13(17)15(6,9-3)10-4;3*1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;;;;/h6-12,14-15H,1-5H3;4-5,7-10H,1-3H3;4-8,10-13H,1-3H3;4-9,11-13H,1-3H3;11,16H,7-10H2,1-6H3;3*9-11,14H,5-8H2,1-4H3;;;;/q4*-1;;;;;;;;
InChIKeyINUWCJWGNWQYIS-UHFFFAOYSA-N
MW3401.27 g/mol
LogP47.99
Rot. Bonds32

About 7-(4-tert-butyl-1H-anthracen-1-id-2-yl)-2,3-dimethylthieno[2,3-c]pyridine;4-(5-tert-butyl-8H-benzo[f][1]benzothiol-8-id-7-yl)-8-(trifluoromethyl)quinazoline;4-(8-tert-butyl-5H-benzo[f][1]benzothiol-5-id-6-yl)-8-(trifluoromethyl)quinazoline;4-(5-tert-butyl-8H-benzo[f][1]benzothiol-8-id-7-yl)-5,6,7-trifluoro-8-(trifluoromethyl)quinazoline;3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;tris(3,7-diethyl-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-(5-tert-butyl-8H-benzo[f][1]benzothiol-8-id-7-yl)-8-(trifluoromethyl)quinazoline;4-(8-tert-butyl-5H-benzo[f][1]benzothiol-5-id-6-yl)-8-(trifluoromethyl)quinazoline;4-(5-tert-butyl-8H-benzo[f][1]benzothiol-8-id-7-yl)-5,6,7-trifluoro-8-(trifluoromethyl)quinazoline;3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium) (PubChem CID 163659890) has the molecular formula C156H175F12Ir4N7O8S4-4 and a molecular weight of 3401.27 g/mol. Its IUPAC name is 7-(4-tert-butyl-1H-anthracen-1-id-2-yl)-2,3-dimethylthieno[2,3-c]pyridine;4-(5-tert-butyl-8H-benzo[f][1]benzothiol-8-id-7-yl)-8-(trifluoromethyl)quinazoline;4-(8-tert-butyl-5H-benzo[f][1]benzothiol-5-id-6-yl)-8-(trifluoromethyl)quinazoline;4-(5-tert-butyl-8H-benzo[f][1]benzothiol-8-id-7-yl)-5,6,7-trifluoro-8-(trifluoromethyl)quinazoline;3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;tris(3,7-diethyl-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-(5-tert-butyl-8H-benzo[f][1]benzothiol-8-id-7-yl)-8-(trifluoromethyl)quinazoline;4-(8-tert-butyl-5H-benzo[f][1]benzothiol-5-id-6-yl)-8-(trifluoromethyl)quinazoline;4-(5-tert-butyl-8H-benzo[f][1]benzothiol-8-id-7-yl)-5,6,7-trifluoro-8-(trifluoromethyl)quinazoline;3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium)
PubChem CID163659890
Molecular FormulaC156H175F12Ir4N7O8S4-4
Molecular Weight3401.27 g/mol
Exact Mass3402.07
IUPAC Name7-(4-tert-butyl-1H-anthracen-1-id-2-yl)-2,3-dimethylthieno[2,3-c]pyridine;4-(5-tert-butyl-8H-benzo[f][1]benzothiol-8-id-7-yl)-8-(trifluoromethyl)quinazoline;4-(8-tert-butyl-5H-benzo[f][1]benzothiol-5-id-6-yl)-8-(trifluoromethyl)quinazoline;4-(5-tert-butyl-8H-benzo[f][1]benzothiol-8-id-7-yl)-5,6,7-trifluoro-8-(trifluoromethyl)quinazoline;3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium)
SMILESCC(C)(C)c1cc(-c2ncnc3c(C(F)(F)F)c(F)c(F)c(F)c23)[c-]c2cc3sccc3cc12.CC(C)(C)c1cc(-c2ncnc3c(C(F)(F)F)cccc23)[c-]c2cc3ccsc3cc12.CC(C)(C)c1cc(-c2ncnc3c(C(F)(F)F)cccc23)[c-]c2cc3sccc3cc12.CCC(C)(CC)C(=O)C=C(O)C(C)(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.Cc1sc2c(-c3[c-]c4cc5ccccc5cc4c(C(C)(C)C)c3)nccc2c1C.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C27H24NS.C25H15F6N2S.2C25H18F3N2S.C15H28O2.3C13H24O2.4Ir/c1-16-17(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;1-24(2,3)15-8-13(6-12-9-16-11(4-5-34-16)7-14(12)15)22-17-19(26)21(28)20(27)18(25(29,30)31)23(17)33-10-32-22;1-24(2,3)20-11-16(9-15-12-21-14(7-8-31-21)10-18(15)20)22-17-5-4-6-19(25(26,27)28)23(17)30-13-29-22;1-24(2,3)20-11-16(10-15-9-14-7-8-31-21(14)12-18(15)20)22-17-5-4-6-19(25(26,27)28)23(17)30-13-29-22;1-7-14(5,8-2)12(16)11-13(17)15(6,9-3)10-4;3*1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;;;;/h6-12,14-15H,1-5H3;4-5,7-10H,1-3H3;4-8,10-13H,1-3H3;4-9,11-13H,1-3H3;11,16H,7-10H2,1-6H3;3*9-11,14H,5-8H2,1-4H3;;;;/q4*-1;;;;;;;;
InChIKeyINUWCJWGNWQYIS-UHFFFAOYSA-N
XLogP47.99
TPSA239.43 Ų
H-Bond Donors4
H-Bond Acceptors19
Rotatable Bonds32
Heavy Atoms191
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003401.27
LogP ≤ 547.99
H-Bond Donors ≤ 54
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'}, {'alert_name': 'halogenated_ring_2', '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-(5-tert-butyl-8H-benzo[f][1]benzothiol-8-id-7-yl)-8-(trifluoromethyl)quinazoline;4-(8-tert-butyl-5H-benzo[f][1]benzothiol-5-id-6-yl)-8-(trifluoromethyl)quinazoline;4-(5-tert-butyl-8H-benzo[f][1]benzothiol-8-id-7-yl)-5,6,7-trifluoro-8-(trifluoromethyl)quinazoline;3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;tris(3,7-diethyl-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
2-[1-(4-Tert-butyl-1-methylnaphthalen-2-yl)-2-methylisoquinolin-2-ium-6-yl]-4-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole;2-[2-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylquinolin-1-ium-4-yl]-4-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole;7-(4-tert-butyl-1-methylnaphthalen-2-yl)-6-methyl-3-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazol-2-yl]thieno[2,3-c]pyridin-6-ium;4-(4-tert-butyl-1-methylnaphthalen-2-yl)-3-methyl-7-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazol-2-yl]thieno[3,2-d]pyrimidin-3-ium
CID 157110986
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
4-(3-Tert-butylbenzene-6-id-1-yl)benzo[f]isoquinoline;3,7-diethyl-6-hydroxynon-5-en-4-one;1-(3,5-dimethylbenzene-6-id-1-yl)-6-(2,2,2-trifluoroethyl)isoquinoline;3-(8-fluorobenzo[f]isoquinolin-4-yl)benzene-4-ide-1-carbonitrile;5-hydroxyhept-4-en-3-one;4-hydroxypent-3-en-2-one;tris(iridium);3-(9-phenylcarbazol-3-yl)-9-(4-phenylquinazolin-2-yl)carbazole
CID 157242622
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
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;1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-8-(2-methylpropyl)-[1]benzothiolo[2,3-c]pyridine;6-cyclopentyl-1-[4-(4,4-dimethylcyclohexyl)-1H-naphthalen-1-id-2-yl]isoquinoline;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-dimethyloct-4-en-3-one;6-ethyl-1,1,1-trifluoro-5-hydroxy-2,2,6-trimethyloct-4-en-3-one;tetrakis(iridium)
CID 157660701
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
4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-methyl-7-(4,4,4-trifluorobutyl)thieno[3,2-d]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-methyl-6-(3,3,3-trifluoro-2,2-dimethylpropyl)thieno[3,2-d]pyrimidine;bis(4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-methyl-6-(3,3,3-trifluoropropyl)thieno[3,2-d]pyrimidine);bis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium);1,1,1-trifluoro-4-hydroxy-5-methylhept-3-en-2-one;1,1,1-trifluoro-4-hydroxy-5-methylhex-3-en-2-one
CID 157977354
1,3-bis(1-fluorocyclohexyl)-3-hydroxyprop-2-en-1-one;1-(3-tert-butylbenzene-6-id-1-yl)isoquinoline;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)-6-(2,2-dimethylpropyl)-[1]benzothiolo[3,2-d]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-methyl-6-propylthieno[3,2-d]pyrimidine;1-(4,4-dimethylcyclohexyl)-5,5,5-trifluoro-1-hydroxy-4,4-dimethylpent-1-en-3-one;2-fluoro-5-hydroxy-2,6-dimethylhept-4-en-3-one;3-hydroxy-1,3-bis[1-(trifluoromethyl)cyclohexyl]prop-2-en-1-one;tetrakis(iridium)
CID 158123447

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-(5-tert-butyl-8H-benzo[f][1]benzothiol-8-id-7-yl)-8-(trifluoromethyl)quinazoline;4-(8-tert-butyl-5H-benzo[f][1]benzothiol-5-id-6-yl)-8-(trifluoromethyl)quinazoline;4-(5-tert-butyl-8H-benzo[f][1]benzothiol-8-id-7-yl)-5,6,7-trifluoro-8-(trifluoromethyl)quinazoline;3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;tris(3,7-diethyl-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-(5-tert-butyl-8H-benzo[f][1]benzothiol-8-id-7-yl)-8-(trifluoromethyl)quinazoline;4-(8-tert-butyl-5H-benzo[f][1]benzothiol-5-id-6-yl)-8-(trifluoromethyl)quinazoline;4-(5-tert-butyl-8H-benzo[f][1]benzothiol-8-id-7-yl)-5,6,7-trifluoro-8-(trifluoromethyl)quinazoline;3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium) (CID 163659890) is 7-(4-tert-butyl-1H-anthracen-1-id-2-yl)-2,3-dimethylthieno[2,3-c]pyridine;4-(5-tert-butyl-8H-benzo[f][1]benzothiol-8-id-7-yl)-8-(trifluoromethyl)quinazoline;4-(8-tert-butyl-5H-benzo[f][1]benzothiol-5-id-6-yl)-8-(trifluoromethyl)quinazoline;4-(5-tert-butyl-8H-benzo[f][1]benzothiol-8-id-7-yl)-5,6,7-trifluoro-8-(trifluoromethyl)quinazoline;3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;tris(3,7-diethyl-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-(5-tert-butyl-8H-benzo[f][1]benzothiol-8-id-7-yl)-8-(trifluoromethyl)quinazoline;4-(8-tert-butyl-5H-benzo[f][1]benzothiol-5-id-6-yl)-8-(trifluoromethyl)quinazoline;4-(5-tert-butyl-8H-benzo[f][1]benzothiol-8-id-7-yl)-5,6,7-trifluoro-8-(trifluoromethyl)quinazoline;3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;tris(3,7-diethyl-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-(5-tert-butyl-8H-benzo[f][1]benzothiol-8-id-7-yl)-8-(trifluoromethyl)quinazoline;4-(8-tert-butyl-5H-benzo[f][1]benzothiol-5-id-6-yl)-8-(trifluoromethyl)quinazoline;4-(5-tert-butyl-8H-benzo[f][1]benzothiol-8-id-7-yl)-5,6,7-trifluoro-8-(trifluoromethyl)quinazoline;3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium) is CC(C)(C)c1cc(-c2ncnc3c(C(F)(F)F)c(F)c(F)c(F)c23)[c-]c2cc3sccc3cc12.CC(C)(C)c1cc(-c2ncnc3c(C(F)(F)F)cccc23)[c-]c2cc3ccsc3cc12.CC(C)(C)c1cc(-c2ncnc3c(C(F)(F)F)cccc23)[c-]c2cc3sccc3cc12.CCC(C)(CC)C(=O)C=C(O)C(C)(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.Cc1sc2c(-c3[c-]c4cc5ccccc5cc4c(C(C)(C)C)c3)nccc2c1C.[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-(5-tert-butyl-8H-benzo[f][1]benzothiol-8-id-7-yl)-8-(trifluoromethyl)quinazoline;4-(8-tert-butyl-5H-benzo[f][1]benzothiol-5-id-6-yl)-8-(trifluoromethyl)quinazoline;4-(5-tert-butyl-8H-benzo[f][1]benzothiol-8-id-7-yl)-5,6,7-trifluoro-8-(trifluoromethyl)quinazoline;3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium)?
The InChIKey is INUWCJWGNWQYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24NS.C25H15F6N2S.2C25H18F3N2S.C15H28O2.3C13H24O2.4Ir/c1-16-17(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;1-24(2,3)15-8-13(6-12-9-16-11(4-5-34-16)7-14(12)15)22-17-19(26)21(28)20(27)18(25(29,30)31)23(17)33-10-32-22;1-24(2,3)20-11-16(9-15-12-21-14(7-8-31-21)10-18(15)20)22-17-5-4-6-19(25(26,27)28)23(17)30-13-29-22;1-24(2,3)20-11-16(10-15-9-14-7-8-31-21(14)12-18(15)20)22-17-5-4-6-19(25(26,27)28)23(17)30-13-29-22;1-7-14(5,8-2)12(16)11-13(17)15(6,9-3)10-4;3*1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;;;;/h6-12,14-15H,1-5H3;4-5,7-10H,1-3H3;4-8,10-13H,1-3H3;4-9,11-13H,1-3H3;11,16H,7-10H2,1-6H3;3*9-11,14H,5-8H2,1-4H3;;;;/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-(5-tert-butyl-8H-benzo[f][1]benzothiol-8-id-7-yl)-8-(trifluoromethyl)quinazoline;4-(8-tert-butyl-5H-benzo[f][1]benzothiol-5-id-6-yl)-8-(trifluoromethyl)quinazoline;4-(5-tert-butyl-8H-benzo[f][1]benzothiol-8-id-7-yl)-5,6,7-trifluoro-8-(trifluoromethyl)quinazoline;3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;tris(3,7-diethyl-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-(5-tert-butyl-8H-benzo[f][1]benzothiol-8-id-7-yl)-8-(trifluoromethyl)quinazoline;4-(8-tert-butyl-5H-benzo[f][1]benzothiol-5-id-6-yl)-8-(trifluoromethyl)quinazoline;4-(5-tert-butyl-8H-benzo[f][1]benzothiol-8-id-7-yl)-5,6,7-trifluoro-8-(trifluoromethyl)quinazoline;3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium) has a molecular weight of 3401.27 g/mol, XLogP of 47.99, 32 rotatable bonds, 4 hydrogen bond donors, and 19 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-(5-tert-butyl-8H-benzo[f][1]benzothiol-8-id-7-yl)-8-(trifluoromethyl)quinazoline;4-(8-tert-butyl-5H-benzo[f][1]benzothiol-5-id-6-yl)-8-(trifluoromethyl)quinazoline;4-(5-tert-butyl-8H-benzo[f][1]benzothiol-8-id-7-yl)-5,6,7-trifluoro-8-(trifluoromethyl)quinazoline;3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium) is sourced from PubChem (CID 163659890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).