2-(2,4-difluorobenzene-6-id-1-yl)-4-phenylquinoline;2-(2,4-difluorobenzene-6-id-1-yl)quinoline;2-(2H-fluoranthen-2-id-3-yl)pyridine;octakis(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;tridecakis(iridium);2-(2-methylbenzene-6-id-1-yl)-4-phenylquinoline;4-methyl-2-phenylquinoline;2-(2H-naphthalen-2-id-1-yl)-3-naphthalen-1-ylpyridine;hexakis(3-phenylpyridazine);2-phenylpyridine;pyrazine-2-carboxylic acid;pyridine-2-carboxylic acid;2-[3-(trifluoromethyl)benzene-6-id-1-yl]quinoline

C269H228F7Ir13N23O22-14 — CID 161447534

IUPAC2-(2,4-difluorobenzene-6-id-1-yl)-4-phenylquinoline;2-(2,4-difluorobenzene-6-id-1-yl)quinoline;2-(2H-fluoranthen-2-id-3-yl)pyridine;octakis(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;tridecakis(iridium);2-(2-methylbenzene-6-id-1-yl)-4-phenylquinoline;4-methyl-2-phenylquinoline;2-(2H-naphthalen-2-id-1-yl)-3-naphthalen-1-ylpyridine;hexakis(3-phenylpyridazine);2-phenylpyridine;pyrazine-2-carboxylic acid;pyridine-2-carboxylic acid;2-[3-(trifluoromethyl)benzene-6-id-1-yl]quinoline
SMILESCC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(C)(C)C(=O)C=C(O)C(C)(C)C.Cc1cc(-c2[c-]cccc2)nc2ccccc12.Cc1ccc[c-]c1-c1cc(-c2ccccc2)c2ccccc2n1.FC(F)(F)c1cc[c-]c(-c2ccc3ccccc3n2)c1.Fc1c[c-]c(-c2cc(-c3ccccc3)c3ccccc3n2)c(F)c1.Fc1c[c-]c(-c2ccc3ccccc3n2)c(F)c1.O=C(O)c1ccccn1.O=C(O)c1cnccn1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1cc2c3c(cccc3c1-c1ccccn1)-c1ccccc1-2.[c-]1ccc2ccccc2c1-c1ncccc1-c1cccc2ccccc12.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1cccnn1.[c-]1ccccc1-c1cccnn1.[c-]1ccccc1-c1cccnn1.[c-]1ccccc1-c1cccnn1.[c-]1ccccc1-c1cccnn1.[c-]1ccccc1-c1cccnn1
InChIInChI=1S/C25H16N.C22H16N.C21H12F2N.C21H12N.C16H9F3N.C16H12N.C15H8F2N.C11H8N.C11H20O2.6C10H7N2.C6H5NO2.C5H4N2O2.8C5H8O2.13Ir/c1-3-12-20-18(8-1)10-5-14-22(20)24-16-7-17-26-25(24)23-15-6-11-19-9-2-4-13-21(19)23;1-16-9-5-6-12-18(16)22-15-20(17-10-3-2-4-11-17)19-13-7-8-14-21(19)23-22;22-15-10-11-17(19(23)12-15)21-13-18(14-6-2-1-3-7-14)16-8-4-5-9-20(16)24-21;1-2-7-15-14(6-1)17-8-5-9-18-16(11-12-19(15)21(17)18)20-10-3-4-13-22-20;17-16(18,19)13-6-3-5-12(10-13)15-9-8-11-4-1-2-7-14(11)20-15;1-12-11-16(13-7-3-2-4-8-13)17-15-10-6-5-9-14(12)15;16-11-6-7-12(13(17)9-11)15-8-5-10-3-1-2-4-14(10)18-15;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-10(2,3)8(12)7-9(13)11(4,5)6;6*1-2-5-9(6-3-1)10-7-4-8-11-12-10;8-6(9)5-3-1-2-4-7-5;8-5(9)4-3-6-1-2-7-4;8*1-4(6)3-5(2)7;;;;;;;;;;;;;/h1-14,16-17H;2-11,13-15H,1H3;1-10,12-13H;1-10,12-13H;1-4,6-10H;2-7,9-11H,1H3;1-6,8-9H;1-6,8-9H;7,12H,1-6H3;6*1-5,7-8H;1-4H,(H,8,9);1-3H,(H,8,9);8*3,6H,1-2H3;;;;;;;;;;;;;/q8*-1;;6*-1;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyJHAUVDJFYAYXBV-UHFFFAOYSA-N
MW6766.73 g/mol
LogP62.43
Rot. Bonds28

About 2-(2,4-difluorobenzene-6-id-1-yl)-4-phenylquinoline;2-(2,4-difluorobenzene-6-id-1-yl)quinoline;2-(2H-fluoranthen-2-id-3-yl)pyridine;octakis(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;tridecakis(iridium);2-(2-methylbenzene-6-id-1-yl)-4-phenylquinoline;4-methyl-2-phenylquinoline;2-(2H-naphthalen-2-id-1-yl)-3-naphthalen-1-ylpyridine;hexakis(3-phenylpyridazine);2-phenylpyridine;pyrazine-2-carboxylic acid;pyridine-2-carboxylic acid;2-[3-(trifluoromethyl)benzene-6-id-1-yl]quinoline

2-(2,4-difluorobenzene-6-id-1-yl)-4-phenylquinoline;2-(2,4-difluorobenzene-6-id-1-yl)quinoline;2-(2H-fluoranthen-2-id-3-yl)pyridine;octakis(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;tridecakis(iridium);2-(2-methylbenzene-6-id-1-yl)-4-phenylquinoline;4-methyl-2-phenylquinoline;2-(2H-naphthalen-2-id-1-yl)-3-naphthalen-1-ylpyridine;hexakis(3-phenylpyridazine);2-phenylpyridine;pyrazine-2-carboxylic acid;pyridine-2-carboxylic acid;2-[3-(trifluoromethyl)benzene-6-id-1-yl]quinoline (PubChem CID 161447534) has the molecular formula C269H228F7Ir13N23O22-14 and a molecular weight of 6766.73 g/mol. Its IUPAC name is 2-(2,4-difluorobenzene-6-id-1-yl)-4-phenylquinoline;2-(2,4-difluorobenzene-6-id-1-yl)quinoline;2-(2H-fluoranthen-2-id-3-yl)pyridine;octakis(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;tridecakis(iridium);2-(2-methylbenzene-6-id-1-yl)-4-phenylquinoline;4-methyl-2-phenylquinoline;2-(2H-naphthalen-2-id-1-yl)-3-naphthalen-1-ylpyridine;hexakis(3-phenylpyridazine);2-phenylpyridine;pyrazine-2-carboxylic acid;pyridine-2-carboxylic acid;2-[3-(trifluoromethyl)benzene-6-id-1-yl]quinoline.

Molecular Properties

Compound Name2-(2,4-difluorobenzene-6-id-1-yl)-4-phenylquinoline;2-(2,4-difluorobenzene-6-id-1-yl)quinoline;2-(2H-fluoranthen-2-id-3-yl)pyridine;octakis(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;tridecakis(iridium);2-(2-methylbenzene-6-id-1-yl)-4-phenylquinoline;4-methyl-2-phenylquinoline;2-(2H-naphthalen-2-id-1-yl)-3-naphthalen-1-ylpyridine;hexakis(3-phenylpyridazine);2-phenylpyridine;pyrazine-2-carboxylic acid;pyridine-2-carboxylic acid;2-[3-(trifluoromethyl)benzene-6-id-1-yl]quinoline
PubChem CID161447534
Molecular FormulaC269H228F7Ir13N23O22-14
Molecular Weight6766.73 g/mol
Exact Mass6773.26
IUPAC Name2-(2,4-difluorobenzene-6-id-1-yl)-4-phenylquinoline;2-(2,4-difluorobenzene-6-id-1-yl)quinoline;2-(2H-fluoranthen-2-id-3-yl)pyridine;octakis(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;tridecakis(iridium);2-(2-methylbenzene-6-id-1-yl)-4-phenylquinoline;4-methyl-2-phenylquinoline;2-(2H-naphthalen-2-id-1-yl)-3-naphthalen-1-ylpyridine;hexakis(3-phenylpyridazine);2-phenylpyridine;pyrazine-2-carboxylic acid;pyridine-2-carboxylic acid;2-[3-(trifluoromethyl)benzene-6-id-1-yl]quinoline
SMILESCC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(C)(C)C(=O)C=C(O)C(C)(C)C.Cc1cc(-c2[c-]cccc2)nc2ccccc12.Cc1ccc[c-]c1-c1cc(-c2ccccc2)c2ccccc2n1.FC(F)(F)c1cc[c-]c(-c2ccc3ccccc3n2)c1.Fc1c[c-]c(-c2cc(-c3ccccc3)c3ccccc3n2)c(F)c1.Fc1c[c-]c(-c2ccc3ccccc3n2)c(F)c1.O=C(O)c1ccccn1.O=C(O)c1cnccn1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1cc2c3c(cccc3c1-c1ccccn1)-c1ccccc1-2.[c-]1ccc2ccccc2c1-c1ncccc1-c1cccc2ccccc12.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1cccnn1.[c-]1ccccc1-c1cccnn1.[c-]1ccccc1-c1cccnn1.[c-]1ccccc1-c1cccnn1.[c-]1ccccc1-c1cccnn1.[c-]1ccccc1-c1cccnn1
InChIInChI=1S/C25H16N.C22H16N.C21H12F2N.C21H12N.C16H9F3N.C16H12N.C15H8F2N.C11H8N.C11H20O2.6C10H7N2.C6H5NO2.C5H4N2O2.8C5H8O2.13Ir/c1-3-12-20-18(8-1)10-5-14-22(20)24-16-7-17-26-25(24)23-15-6-11-19-9-2-4-13-21(19)23;1-16-9-5-6-12-18(16)22-15-20(17-10-3-2-4-11-17)19-13-7-8-14-21(19)23-22;22-15-10-11-17(19(23)12-15)21-13-18(14-6-2-1-3-7-14)16-8-4-5-9-20(16)24-21;1-2-7-15-14(6-1)17-8-5-9-18-16(11-12-19(15)21(17)18)20-10-3-4-13-22-20;17-16(18,19)13-6-3-5-12(10-13)15-9-8-11-4-1-2-7-14(11)20-15;1-12-11-16(13-7-3-2-4-8-13)17-15-10-6-5-9-14(12)15;16-11-6-7-12(13(17)9-11)15-8-5-10-3-1-2-4-14(10)18-15;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-10(2,3)8(12)7-9(13)11(4,5)6;6*1-2-5-9(6-3-1)10-7-4-8-11-12-10;8-6(9)5-3-1-2-4-7-5;8-5(9)4-3-6-1-2-7-4;8*1-4(6)3-5(2)7;;;;;;;;;;;;;/h1-14,16-17H;2-11,13-15H,1H3;1-10,12-13H;1-10,12-13H;1-4,6-10H;2-7,9-11H,1H3;1-6,8-9H;1-6,8-9H;7,12H,1-6H3;6*1-5,7-8H;1-4H,(H,8,9);1-3H,(H,8,9);8*3,6H,1-2H3;;;;;;;;;;;;;/q8*-1;;6*-1;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyJHAUVDJFYAYXBV-UHFFFAOYSA-N
XLogP62.43
TPSA706.77 Ų
H-Bond Donors11
H-Bond Acceptors43
Rotatable Bonds28
Heavy Atoms334
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5006766.73
LogP ≤ 562.43
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1043

Analyze 2-(2,4-difluorobenzene-6-id-1-yl)-4-phenylquinoline;2-(2,4-difluorobenzene-6-id-1-yl)quinoline;2-(2H-fluoranthen-2-id-3-yl)pyridine;octakis(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;tridecakis(iridium);2-(2-methylbenzene-6-id-1-yl)-4-phenylquinoline;4-methyl-2-phenylquinoline;2-(2H-naphthalen-2-id-1-yl)-3-naphthalen-1-ylpyridine;hexakis(3-phenylpyridazine);2-phenylpyridine;pyrazine-2-carboxylic acid;pyridine-2-carboxylic acid;2-[3-(trifluoromethyl)benzene-6-id-1-yl]quinoline with MolForge

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Related Compounds

2-(2,4-difluorobenzene-6-id-1-yl)-4-phenylquinoline;2-(2,4-difluorobenzene-6-id-1-yl)quinoline;2-(2H-fluoranthen-2-id-3-yl)pyridine;nonakis(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;tetradecakis(iridium);2-(2-methylbenzene-6-id-1-yl)-4-phenylquinoline;4-methyl-2-phenylquinoline;2-(2H-naphthalen-2-id-1-yl)-3-naphthalen-1-ylpyridine;hexakis(3-phenylpyridazine);2-phenylpyridine;pyrazine-2-carboxylic acid;pyridine-2-carboxylic acid;2-[3-(trifluoromethyl)benzene-6-id-1-yl]quinoline;2-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoline
CID 157083339
hexakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);tetrakis((2-carboxyphenyl)-phenyl-(4-pyridin-4-ylphenyl)phosphanium);hexakis(copper(1+));octakis(iridium);tetrakis(1-phenylisoquinoline);bis(2-phenylpyrazine);tetrakis(2-phenylquinoline);bis(3-pyridin-2-yl-4H-pyridin-4-ide)
CID 157094736
2-(2,4-Difluorobenzene-6-id-1-yl)pyridine;3,5-diphenyl-2-phenylpyrazine;tris(4-hydroxypent-3-en-2-one);heptakis(iridium);2-(3-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]pyridine;1-phenylisoquinoline;2-phenylpyridine;bis(pyridine-2-carboxylic acid)
CID 157109008
10H-benzo[h]quinolin-10-ide;2-[6,8-difluoro-9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]pyridine;tetrakis(iridium);2-[9-methyl-7,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]-5-(trifluoromethyl)pyridine;bis(2-[9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline);2-phenylpyridine;pyridine-2-carboxylic acid
CID 157177589
2-(2,4-Difluorobenzene-6-id-1-yl)pyridine;3,5-diphenyl-2-phenylpyridine;tris(4-hydroxypent-3-en-2-one);heptakis(iridium);2-(3-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]pyridine;1-phenylisoquinoline;2-phenylpyridine;bis(pyridine-2-carboxylic acid)
CID 157213762
2-(4-tert-butylbenzene-6-id-1-yl)pyridine;bis(2-(9,9-diethyl-3H-fluoren-3-id-2-yl)quinoline);heptakis(2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline);3-ethyl-4-hydroxypent-3-en-2-one;1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;3-hydroxy-1,3-diphenylprop-2-en-1-one;4-hydroxy-3-methylpent-3-en-2-one;4-hydroxypent-3-en-2-one;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;nonakis(iridium);2-phenylpyridine
CID 157287608
CID 157311917
CID 157311917
3-(9,9-dimethyl-3H-fluoren-3-id-2-yl)isoquinoline;hexakis(2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline);1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;3-hydroxy-1,3-diphenylprop-2-en-1-one;4-hydroxy-3-methylpent-3-en-2-one;bis(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;heptakis(iridium)
CID 157686881
Bis(2-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)-5-methylpyrazine);2-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)-5-propan-2-ylpyrazine;tetrakis(iridium);iridium(3+);5-methyl-3-(4-methylphenyl)-2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazine;tetrakis(pyrazol-1-ide);tris(pyridine-2-carboxylic acid)
CID 157696246
2-(3,4-Diphenylbenzene-6-id-1-yl)-5-phenylpyrazine;tris(4-hydroxypent-3-en-2-one);tetrakis(iridium);2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(3-phenylbenzene-2-id-1-yl)pyridine;1-phenylisoquinoline;2-phenylphenol;2-phenylpyridine;platinum(2+);pyridine-2-carboxylic acid
CID 157715994
Bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);3,5-diphenyl-2-phenylpyrazine;bis(4-hydroxypent-3-en-2-one);hexakis(iridium);2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]pyridine;3-phenylisoquinoline;2-phenylpyridine;bis(pyridine-2-carboxylic acid);2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
CID 157783484
CID 157801091
CID 157801091

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorobenzene-6-id-1-yl)-4-phenylquinoline;2-(2,4-difluorobenzene-6-id-1-yl)quinoline;2-(2H-fluoranthen-2-id-3-yl)pyridine;octakis(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;tridecakis(iridium);2-(2-methylbenzene-6-id-1-yl)-4-phenylquinoline;4-methyl-2-phenylquinoline;2-(2H-naphthalen-2-id-1-yl)-3-naphthalen-1-ylpyridine;hexakis(3-phenylpyridazine);2-phenylpyridine;pyrazine-2-carboxylic acid;pyridine-2-carboxylic acid;2-[3-(trifluoromethyl)benzene-6-id-1-yl]quinoline?
The IUPAC name of 2-(2,4-difluorobenzene-6-id-1-yl)-4-phenylquinoline;2-(2,4-difluorobenzene-6-id-1-yl)quinoline;2-(2H-fluoranthen-2-id-3-yl)pyridine;octakis(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;tridecakis(iridium);2-(2-methylbenzene-6-id-1-yl)-4-phenylquinoline;4-methyl-2-phenylquinoline;2-(2H-naphthalen-2-id-1-yl)-3-naphthalen-1-ylpyridine;hexakis(3-phenylpyridazine);2-phenylpyridine;pyrazine-2-carboxylic acid;pyridine-2-carboxylic acid;2-[3-(trifluoromethyl)benzene-6-id-1-yl]quinoline (CID 161447534) is 2-(2,4-difluorobenzene-6-id-1-yl)-4-phenylquinoline;2-(2,4-difluorobenzene-6-id-1-yl)quinoline;2-(2H-fluoranthen-2-id-3-yl)pyridine;octakis(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;tridecakis(iridium);2-(2-methylbenzene-6-id-1-yl)-4-phenylquinoline;4-methyl-2-phenylquinoline;2-(2H-naphthalen-2-id-1-yl)-3-naphthalen-1-ylpyridine;hexakis(3-phenylpyridazine);2-phenylpyridine;pyrazine-2-carboxylic acid;pyridine-2-carboxylic acid;2-[3-(trifluoromethyl)benzene-6-id-1-yl]quinoline.
What is the SMILES notation for 2-(2,4-difluorobenzene-6-id-1-yl)-4-phenylquinoline;2-(2,4-difluorobenzene-6-id-1-yl)quinoline;2-(2H-fluoranthen-2-id-3-yl)pyridine;octakis(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;tridecakis(iridium);2-(2-methylbenzene-6-id-1-yl)-4-phenylquinoline;4-methyl-2-phenylquinoline;2-(2H-naphthalen-2-id-1-yl)-3-naphthalen-1-ylpyridine;hexakis(3-phenylpyridazine);2-phenylpyridine;pyrazine-2-carboxylic acid;pyridine-2-carboxylic acid;2-[3-(trifluoromethyl)benzene-6-id-1-yl]quinoline?
The canonical SMILES for 2-(2,4-difluorobenzene-6-id-1-yl)-4-phenylquinoline;2-(2,4-difluorobenzene-6-id-1-yl)quinoline;2-(2H-fluoranthen-2-id-3-yl)pyridine;octakis(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;tridecakis(iridium);2-(2-methylbenzene-6-id-1-yl)-4-phenylquinoline;4-methyl-2-phenylquinoline;2-(2H-naphthalen-2-id-1-yl)-3-naphthalen-1-ylpyridine;hexakis(3-phenylpyridazine);2-phenylpyridine;pyrazine-2-carboxylic acid;pyridine-2-carboxylic acid;2-[3-(trifluoromethyl)benzene-6-id-1-yl]quinoline is CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(C)(C)C(=O)C=C(O)C(C)(C)C.Cc1cc(-c2[c-]cccc2)nc2ccccc12.Cc1ccc[c-]c1-c1cc(-c2ccccc2)c2ccccc2n1.FC(F)(F)c1cc[c-]c(-c2ccc3ccccc3n2)c1.Fc1c[c-]c(-c2cc(-c3ccccc3)c3ccccc3n2)c(F)c1.Fc1c[c-]c(-c2ccc3ccccc3n2)c(F)c1.O=C(O)c1ccccn1.O=C(O)c1cnccn1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1cc2c3c(cccc3c1-c1ccccn1)-c1ccccc1-2.[c-]1ccc2ccccc2c1-c1ncccc1-c1cccc2ccccc12.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1cccnn1.[c-]1ccccc1-c1cccnn1.[c-]1ccccc1-c1cccnn1.[c-]1ccccc1-c1cccnn1.[c-]1ccccc1-c1cccnn1.[c-]1ccccc1-c1cccnn1.
What is the InChIKey of 2-(2,4-difluorobenzene-6-id-1-yl)-4-phenylquinoline;2-(2,4-difluorobenzene-6-id-1-yl)quinoline;2-(2H-fluoranthen-2-id-3-yl)pyridine;octakis(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;tridecakis(iridium);2-(2-methylbenzene-6-id-1-yl)-4-phenylquinoline;4-methyl-2-phenylquinoline;2-(2H-naphthalen-2-id-1-yl)-3-naphthalen-1-ylpyridine;hexakis(3-phenylpyridazine);2-phenylpyridine;pyrazine-2-carboxylic acid;pyridine-2-carboxylic acid;2-[3-(trifluoromethyl)benzene-6-id-1-yl]quinoline?
The InChIKey is JHAUVDJFYAYXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16N.C22H16N.C21H12F2N.C21H12N.C16H9F3N.C16H12N.C15H8F2N.C11H8N.C11H20O2.6C10H7N2.C6H5NO2.C5H4N2O2.8C5H8O2.13Ir/c1-3-12-20-18(8-1)10-5-14-22(20)24-16-7-17-26-25(24)23-15-6-11-19-9-2-4-13-21(19)23;1-16-9-5-6-12-18(16)22-15-20(17-10-3-2-4-11-17)19-13-7-8-14-21(19)23-22;22-15-10-11-17(19(23)12-15)21-13-18(14-6-2-1-3-7-14)16-8-4-5-9-20(16)24-21;1-2-7-15-14(6-1)17-8-5-9-18-16(11-12-19(15)21(17)18)20-10-3-4-13-22-20;17-16(18,19)13-6-3-5-12(10-13)15-9-8-11-4-1-2-7-14(11)20-15;1-12-11-16(13-7-3-2-4-8-13)17-15-10-6-5-9-14(12)15;16-11-6-7-12(13(17)9-11)15-8-5-10-3-1-2-4-14(10)18-15;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-10(2,3)8(12)7-9(13)11(4,5)6;6*1-2-5-9(6-3-1)10-7-4-8-11-12-10;8-6(9)5-3-1-2-4-7-5;8-5(9)4-3-6-1-2-7-4;8*1-4(6)3-5(2)7;;;;;;;;;;;;;/h1-14,16-17H;2-11,13-15H,1H3;1-10,12-13H;1-10,12-13H;1-4,6-10H;2-7,9-11H,1H3;1-6,8-9H;1-6,8-9H;7,12H,1-6H3;6*1-5,7-8H;1-4H,(H,8,9);1-3H,(H,8,9);8*3,6H,1-2H3;;;;;;;;;;;;;/q8*-1;;6*-1;;;;;;;;;;;;;;;;;;;;;;;.
What are the key properties of 2-(2,4-difluorobenzene-6-id-1-yl)-4-phenylquinoline;2-(2,4-difluorobenzene-6-id-1-yl)quinoline;2-(2H-fluoranthen-2-id-3-yl)pyridine;octakis(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;tridecakis(iridium);2-(2-methylbenzene-6-id-1-yl)-4-phenylquinoline;4-methyl-2-phenylquinoline;2-(2H-naphthalen-2-id-1-yl)-3-naphthalen-1-ylpyridine;hexakis(3-phenylpyridazine);2-phenylpyridine;pyrazine-2-carboxylic acid;pyridine-2-carboxylic acid;2-[3-(trifluoromethyl)benzene-6-id-1-yl]quinoline?
2-(2,4-difluorobenzene-6-id-1-yl)-4-phenylquinoline;2-(2,4-difluorobenzene-6-id-1-yl)quinoline;2-(2H-fluoranthen-2-id-3-yl)pyridine;octakis(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;tridecakis(iridium);2-(2-methylbenzene-6-id-1-yl)-4-phenylquinoline;4-methyl-2-phenylquinoline;2-(2H-naphthalen-2-id-1-yl)-3-naphthalen-1-ylpyridine;hexakis(3-phenylpyridazine);2-phenylpyridine;pyrazine-2-carboxylic acid;pyridine-2-carboxylic acid;2-[3-(trifluoromethyl)benzene-6-id-1-yl]quinoline has a molecular weight of 6766.73 g/mol, XLogP of 62.43, 28 rotatable bonds, 11 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorobenzene-6-id-1-yl)-4-phenylquinoline;2-(2,4-difluorobenzene-6-id-1-yl)quinoline;2-(2H-fluoranthen-2-id-3-yl)pyridine;octakis(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;tridecakis(iridium);2-(2-methylbenzene-6-id-1-yl)-4-phenylquinoline;4-methyl-2-phenylquinoline;2-(2H-naphthalen-2-id-1-yl)-3-naphthalen-1-ylpyridine;hexakis(3-phenylpyridazine);2-phenylpyridine;pyrazine-2-carboxylic acid;pyridine-2-carboxylic acid;2-[3-(trifluoromethyl)benzene-6-id-1-yl]quinoline is sourced from PubChem (CID 161447534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).