bis(3-chloro-6-(3-methoxybenzene-6-id-1-yl)-4-methylpyridazine);3-chloro-6-phenylpyridazine;2-(2H-fluoranthen-2-id-3-yl)pyridine;tetrakis(4-hydroxypent-3-en-2-one);bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tridecakis(iridium);3-methyl-2-(2H-naphthalen-2-id-1-yl)pyridine;2-(2H-naphthalen-2-id-1-yl)-3-naphthalen-1-ylpyridine;heptakis(3-phenylpyridazine);tetrakis(2-phenylpyridine);pyrazine-2-carboxylic acid;pyridine-2-carboxylic acid

C263H228Cl3Ir13N30O18-17 — CID 159160458

IUPACbis(3-chloro-6-(3-methoxybenzene-6-id-1-yl)-4-methylpyridazine);3-chloro-6-phenylpyridazine;2-(2H-fluoranthen-2-id-3-yl)pyridine;tetrakis(4-hydroxypent-3-en-2-one);bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tridecakis(iridium);3-methyl-2-(2H-naphthalen-2-id-1-yl)pyridine;2-(2H-naphthalen-2-id-1-yl)-3-naphthalen-1-ylpyridine;heptakis(3-phenylpyridazine);tetrakis(2-phenylpyridine);pyrazine-2-carboxylic acid;pyridine-2-carboxylic acid
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(C)(C)C(=O)C=C(O)C(C)(C)C.CC(C)(C)C(=O)C=C(O)C(C)(C)C.COc1cc[c-]c(-c2cc(C)c(Cl)nn2)c1.COc1cc[c-]c(-c2cc(C)c(Cl)nn2)c1.Cc1cccnc1-c1[c-]ccc2ccccc12.Clc1ccc(-c2[c-]cccc2)nn1.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-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1cccnn1.[c-]1ccccc1-c1cccnn1.[c-]1ccccc1-c1cccnn1.[c-]1ccccc1-c1cccnn1.[c-]1ccccc1-c1cccnn1.[c-]1ccccc1-c1cccnn1.[c-]1ccccc1-c1cccnn1
InChIInChI=1S/C25H16N.C21H12N.C16H12N.2C12H10ClN2O.4C11H8N.2C11H20O2.C10H6ClN2.7C10H7N2.C6H5NO2.C5H4N2O2.4C5H8O2.13Ir/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;1-2-7-15-14(6-1)17-8-5-9-18-16(11-12-19(15)21(17)18)20-10-3-4-13-22-20;1-12-6-5-11-17-16(12)15-10-4-8-13-7-2-3-9-14(13)15;2*1-8-6-11(14-15-12(8)13)9-4-3-5-10(7-9)16-2;4*1-2-6-10(7-3-1)11-8-4-5-9-12-11;2*1-10(2,3)8(12)7-9(13)11(4,5)6;11-10-7-6-9(12-13-10)8-4-2-1-3-5-8;7*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;4*1-4(6)3-5(2)7;;;;;;;;;;;;;/h1-14,16-17H;1-10,12-13H;2-9,11H,1H3;2*3,5-7H,1-2H3;4*1-6,8-9H;2*7,12H,1-6H3;1-4,6-7H;7*1-5,7-8H;1-4H,(H,8,9);1-3H,(H,8,9);4*3,6H,1-2H3;;;;;;;;;;;;;/q9*-1;;;8*-1;;;;;;;;;;;;;;;;;;;
InChIKeyZFIGLLGDLQDAOD-UHFFFAOYSA-N
MW6702.09 g/mol
LogP59.36
Rot. Bonds28

About bis(3-chloro-6-(3-methoxybenzene-6-id-1-yl)-4-methylpyridazine);3-chloro-6-phenylpyridazine;2-(2H-fluoranthen-2-id-3-yl)pyridine;tetrakis(4-hydroxypent-3-en-2-one);bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tridecakis(iridium);3-methyl-2-(2H-naphthalen-2-id-1-yl)pyridine;2-(2H-naphthalen-2-id-1-yl)-3-naphthalen-1-ylpyridine;heptakis(3-phenylpyridazine);tetrakis(2-phenylpyridine);pyrazine-2-carboxylic acid;pyridine-2-carboxylic acid

bis(3-chloro-6-(3-methoxybenzene-6-id-1-yl)-4-methylpyridazine);3-chloro-6-phenylpyridazine;2-(2H-fluoranthen-2-id-3-yl)pyridine;tetrakis(4-hydroxypent-3-en-2-one);bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tridecakis(iridium);3-methyl-2-(2H-naphthalen-2-id-1-yl)pyridine;2-(2H-naphthalen-2-id-1-yl)-3-naphthalen-1-ylpyridine;heptakis(3-phenylpyridazine);tetrakis(2-phenylpyridine);pyrazine-2-carboxylic acid;pyridine-2-carboxylic acid (PubChem CID 159160458) has the molecular formula C263H228Cl3Ir13N30O18-17 and a molecular weight of 6702.09 g/mol. Its IUPAC name is bis(3-chloro-6-(3-methoxybenzene-6-id-1-yl)-4-methylpyridazine);3-chloro-6-phenylpyridazine;2-(2H-fluoranthen-2-id-3-yl)pyridine;tetrakis(4-hydroxypent-3-en-2-one);bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tridecakis(iridium);3-methyl-2-(2H-naphthalen-2-id-1-yl)pyridine;2-(2H-naphthalen-2-id-1-yl)-3-naphthalen-1-ylpyridine;heptakis(3-phenylpyridazine);tetrakis(2-phenylpyridine);pyrazine-2-carboxylic acid;pyridine-2-carboxylic acid.

Molecular Properties

Compound Namebis(3-chloro-6-(3-methoxybenzene-6-id-1-yl)-4-methylpyridazine);3-chloro-6-phenylpyridazine;2-(2H-fluoranthen-2-id-3-yl)pyridine;tetrakis(4-hydroxypent-3-en-2-one);bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tridecakis(iridium);3-methyl-2-(2H-naphthalen-2-id-1-yl)pyridine;2-(2H-naphthalen-2-id-1-yl)-3-naphthalen-1-ylpyridine;heptakis(3-phenylpyridazine);tetrakis(2-phenylpyridine);pyrazine-2-carboxylic acid;pyridine-2-carboxylic acid
PubChem CID159160458
Molecular FormulaC263H228Cl3Ir13N30O18-17
Molecular Weight6702.09 g/mol
Exact Mass6707.22
IUPAC Namebis(3-chloro-6-(3-methoxybenzene-6-id-1-yl)-4-methylpyridazine);3-chloro-6-phenylpyridazine;2-(2H-fluoranthen-2-id-3-yl)pyridine;tetrakis(4-hydroxypent-3-en-2-one);bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tridecakis(iridium);3-methyl-2-(2H-naphthalen-2-id-1-yl)pyridine;2-(2H-naphthalen-2-id-1-yl)-3-naphthalen-1-ylpyridine;heptakis(3-phenylpyridazine);tetrakis(2-phenylpyridine);pyrazine-2-carboxylic acid;pyridine-2-carboxylic acid
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(C)(C)C(=O)C=C(O)C(C)(C)C.CC(C)(C)C(=O)C=C(O)C(C)(C)C.COc1cc[c-]c(-c2cc(C)c(Cl)nn2)c1.COc1cc[c-]c(-c2cc(C)c(Cl)nn2)c1.Cc1cccnc1-c1[c-]ccc2ccccc12.Clc1ccc(-c2[c-]cccc2)nn1.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-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1cccnn1.[c-]1ccccc1-c1cccnn1.[c-]1ccccc1-c1cccnn1.[c-]1ccccc1-c1cccnn1.[c-]1ccccc1-c1cccnn1.[c-]1ccccc1-c1cccnn1.[c-]1ccccc1-c1cccnn1
InChIInChI=1S/C25H16N.C21H12N.C16H12N.2C12H10ClN2O.4C11H8N.2C11H20O2.C10H6ClN2.7C10H7N2.C6H5NO2.C5H4N2O2.4C5H8O2.13Ir/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;1-2-7-15-14(6-1)17-8-5-9-18-16(11-12-19(15)21(17)18)20-10-3-4-13-22-20;1-12-6-5-11-17-16(12)15-10-4-8-13-7-2-3-9-14(13)15;2*1-8-6-11(14-15-12(8)13)9-4-3-5-10(7-9)16-2;4*1-2-6-10(7-3-1)11-8-4-5-9-12-11;2*1-10(2,3)8(12)7-9(13)11(4,5)6;11-10-7-6-9(12-13-10)8-4-2-1-3-5-8;7*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;4*1-4(6)3-5(2)7;;;;;;;;;;;;;/h1-14,16-17H;1-10,12-13H;2-9,11H,1H3;2*3,5-7H,1-2H3;4*1-6,8-9H;2*7,12H,1-6H3;1-4,6-7H;7*1-5,7-8H;1-4H,(H,8,9);1-3H,(H,8,9);4*3,6H,1-2H3;;;;;;;;;;;;;/q9*-1;;;8*-1;;;;;;;;;;;;;;;;;;;
InChIKeyZFIGLLGDLQDAOD-UHFFFAOYSA-N
XLogP59.36
TPSA703.56 Ų
H-Bond Donors8
H-Bond Acceptors46
Rotatable Bonds28
Heavy Atoms327
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5006702.09
LogP ≤ 559.36
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1046

Analyze bis(3-chloro-6-(3-methoxybenzene-6-id-1-yl)-4-methylpyridazine);3-chloro-6-phenylpyridazine;2-(2H-fluoranthen-2-id-3-yl)pyridine;tetrakis(4-hydroxypent-3-en-2-one);bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tridecakis(iridium);3-methyl-2-(2H-naphthalen-2-id-1-yl)pyridine;2-(2H-naphthalen-2-id-1-yl)-3-naphthalen-1-ylpyridine;heptakis(3-phenylpyridazine);tetrakis(2-phenylpyridine);pyrazine-2-carboxylic acid;pyridine-2-carboxylic acid 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
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
4-Hydroxypent-3-en-2-one;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;hexakis(iridium);hexakis(3-phenylpyridazine);2-phenylpyridine;pyrazine-2-carboxylic acid;pyridine-2-carboxylic acid
CID 157420251
3-chloro-6-phenylpyridazine;2-(2,4-difluorobenzene-6-id-1-yl)-4-phenylquinoline;2-(2H-fluoranthen-2-id-3-yl)pyridine;tetrakis(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;undecakis(iridium);2-(2H-naphthalen-2-id-1-yl)-3-naphthalen-1-ylpyridine;heptakis(3-phenylpyridazine);tris(2-phenylpyridine);pyrazine-2-carboxylic acid;pyridine-2-carboxylic acid
CID 157624410
2-(2,4-difluorobenzene-6-id-1-yl)-4-phenylquinoline;2-(2H-fluoranthen-2-id-3-yl)pyridine;tetrakis(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;hexakis(iridium);2-(2H-naphthalen-2-id-1-yl)-3-naphthalen-1-ylpyridine;tris(3-phenylpyridazine);pyridine-2-carboxylic acid
CID 157628044
bis(3-chloro-6-(3-methoxybenzene-6-id-1-yl)-4-methylpyridazine);3-chloro-6-phenylpyridazine;2-(2H-fluoranthen-2-id-3-yl)pyridine;bis(4-hydroxypent-3-en-2-one);bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);undecakis(iridium);heptakis(3-phenylpyridazine);tetrakis(2-phenylpyridine);pyrazine-2-carboxylic acid;pyridine-2-carboxylic acid
CID 158427019
3-Chloro-6-phenylpyridazine;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;heptakis(iridium);hexakis(3-phenylpyridazine);tris(2-phenylpyridine);pyrazine-2-carboxylic acid;pyridine-2-carboxylic acid
CID 159000162
Lithium;1-[(3-chloroquinolin-6-yl)methyl]-5-methyltriazole-4-carboxylic acid;2-[(3-chloroquinolin-6-yl)methyl]-5-methyltriazole-4-carboxylic acid;3-[(3-chloroquinolin-6-yl)methyl]-5-methyltriazole-4-carboxylic acid;ethyl 1-[(3-chloroquinolin-6-yl)methyl]-5-methyltriazole-4-carboxylate;ethyl 2-[(3-chloroquinolin-6-yl)methyl]-5-methyltriazole-4-carboxylate;ethyl 3-[(3-chloroquinolin-6-yl)methyl]-5-methyltriazole-4-carboxylate;hydroxide
CID 159246133
bis(3-chloro-6-(3-methoxybenzene-6-id-1-yl)-4-methylpyridazine);3-chloro-6-phenylpyridazine;2-(2,4-dihydro-1H-acenaphthylen-4-id-5-yl)-3-methylpyridine;2-(2,4-dihydro-1H-acenaphthylen-4-id-5-yl)pyridine-3-carbonitrile;2-(3,5-dimethylbenzene-6-id-1-yl)-6-phenylquinoline;heptakis(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;pentadecakis(iridium);2-(4-methylbenzene-6-id-1-yl)-6-phenylquinoline;3-methyl-2-(2H-naphthalen-2-id-1-yl)pyridine;2-(4-methyl-2H-naphthalen-2-id-1-yl)pyridine-3-carbonitrile;2-(2H-naphthalen-2-id-1-yl)-3-phenylpyridine;2-(2H-naphthalen-2-id-1-yl)pyridine-3-carbonitrile;2-(2-phenylethenyl)quinoline;tetrakis(3-phenylpyridazine);tetrakis(2-phenylpyridine);pyrazine-2-carboxylic acid
CID 159614014
bis(3-chloro-6-(3-methoxybenzene-6-id-1-yl)-4-methylpyridazine);3-chloro-6-phenylpyridazine;2-(2,4-dihydro-1H-acenaphthylen-4-id-5-yl)-3-methylpyridine;2-(2H-fluoranthen-2-id-3-yl)pyridine;heptakis(4-hydroxypent-3-en-2-one);bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);hexadecakis(iridium);3-methyl-2-(2H-naphthalen-2-id-1-yl)pyridine;2-(4-methyl-2H-naphthalen-2-id-1-yl)pyridine-3-carbonitrile;2-(2H-naphthalen-2-id-1-yl)-3-naphthalen-1-ylpyridine;2-(2H-naphthalen-2-id-1-yl)-3-phenylpyridine;heptakis(3-phenylpyridazine);tetrakis(2-phenylpyridine);pyrazine-2-carboxylic acid;pyridine-2-carboxylic acid
CID 160057815
3-chloro-6-phenylpyridazine;2-(2,4-difluorobenzene-6-id-1-yl)-4-phenylquinoline;2-(2H-fluoranthen-2-id-3-yl)pyridine;pentakis(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;dodecakis(iridium);2-(2-methylbenzene-6-id-1-yl)-4-phenylquinoline;2-(2H-naphthalen-2-id-1-yl)-3-naphthalen-1-ylpyridine;heptakis(3-phenylpyridazine);tris(2-phenylpyridine);pyrazine-2-carboxylic acid;pyridine-2-carboxylic acid
CID 160388336
Bis(3-chloro-6-(3-methoxybenzene-6-id-1-yl)-4-methylpyridazine);3-chloro-6-phenylpyridazine;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;heptakis(iridium);tetrakis(3-phenylpyridazine);tetrakis(2-phenylpyridine);pyrazine-2-carboxylic acid
CID 160509547

Frequently Asked Questions

What is the IUPAC name of bis(3-chloro-6-(3-methoxybenzene-6-id-1-yl)-4-methylpyridazine);3-chloro-6-phenylpyridazine;2-(2H-fluoranthen-2-id-3-yl)pyridine;tetrakis(4-hydroxypent-3-en-2-one);bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tridecakis(iridium);3-methyl-2-(2H-naphthalen-2-id-1-yl)pyridine;2-(2H-naphthalen-2-id-1-yl)-3-naphthalen-1-ylpyridine;heptakis(3-phenylpyridazine);tetrakis(2-phenylpyridine);pyrazine-2-carboxylic acid;pyridine-2-carboxylic acid?
The IUPAC name of bis(3-chloro-6-(3-methoxybenzene-6-id-1-yl)-4-methylpyridazine);3-chloro-6-phenylpyridazine;2-(2H-fluoranthen-2-id-3-yl)pyridine;tetrakis(4-hydroxypent-3-en-2-one);bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tridecakis(iridium);3-methyl-2-(2H-naphthalen-2-id-1-yl)pyridine;2-(2H-naphthalen-2-id-1-yl)-3-naphthalen-1-ylpyridine;heptakis(3-phenylpyridazine);tetrakis(2-phenylpyridine);pyrazine-2-carboxylic acid;pyridine-2-carboxylic acid (CID 159160458) is bis(3-chloro-6-(3-methoxybenzene-6-id-1-yl)-4-methylpyridazine);3-chloro-6-phenylpyridazine;2-(2H-fluoranthen-2-id-3-yl)pyridine;tetrakis(4-hydroxypent-3-en-2-one);bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tridecakis(iridium);3-methyl-2-(2H-naphthalen-2-id-1-yl)pyridine;2-(2H-naphthalen-2-id-1-yl)-3-naphthalen-1-ylpyridine;heptakis(3-phenylpyridazine);tetrakis(2-phenylpyridine);pyrazine-2-carboxylic acid;pyridine-2-carboxylic acid.
What is the SMILES notation for bis(3-chloro-6-(3-methoxybenzene-6-id-1-yl)-4-methylpyridazine);3-chloro-6-phenylpyridazine;2-(2H-fluoranthen-2-id-3-yl)pyridine;tetrakis(4-hydroxypent-3-en-2-one);bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tridecakis(iridium);3-methyl-2-(2H-naphthalen-2-id-1-yl)pyridine;2-(2H-naphthalen-2-id-1-yl)-3-naphthalen-1-ylpyridine;heptakis(3-phenylpyridazine);tetrakis(2-phenylpyridine);pyrazine-2-carboxylic acid;pyridine-2-carboxylic acid?
The canonical SMILES for bis(3-chloro-6-(3-methoxybenzene-6-id-1-yl)-4-methylpyridazine);3-chloro-6-phenylpyridazine;2-(2H-fluoranthen-2-id-3-yl)pyridine;tetrakis(4-hydroxypent-3-en-2-one);bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tridecakis(iridium);3-methyl-2-(2H-naphthalen-2-id-1-yl)pyridine;2-(2H-naphthalen-2-id-1-yl)-3-naphthalen-1-ylpyridine;heptakis(3-phenylpyridazine);tetrakis(2-phenylpyridine);pyrazine-2-carboxylic acid;pyridine-2-carboxylic acid 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(C)(C)C(=O)C=C(O)C(C)(C)C.CC(C)(C)C(=O)C=C(O)C(C)(C)C.COc1cc[c-]c(-c2cc(C)c(Cl)nn2)c1.COc1cc[c-]c(-c2cc(C)c(Cl)nn2)c1.Cc1cccnc1-c1[c-]ccc2ccccc12.Clc1ccc(-c2[c-]cccc2)nn1.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-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1cccnn1.[c-]1ccccc1-c1cccnn1.[c-]1ccccc1-c1cccnn1.[c-]1ccccc1-c1cccnn1.[c-]1ccccc1-c1cccnn1.[c-]1ccccc1-c1cccnn1.[c-]1ccccc1-c1cccnn1.
What is the InChIKey of bis(3-chloro-6-(3-methoxybenzene-6-id-1-yl)-4-methylpyridazine);3-chloro-6-phenylpyridazine;2-(2H-fluoranthen-2-id-3-yl)pyridine;tetrakis(4-hydroxypent-3-en-2-one);bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tridecakis(iridium);3-methyl-2-(2H-naphthalen-2-id-1-yl)pyridine;2-(2H-naphthalen-2-id-1-yl)-3-naphthalen-1-ylpyridine;heptakis(3-phenylpyridazine);tetrakis(2-phenylpyridine);pyrazine-2-carboxylic acid;pyridine-2-carboxylic acid?
The InChIKey is ZFIGLLGDLQDAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16N.C21H12N.C16H12N.2C12H10ClN2O.4C11H8N.2C11H20O2.C10H6ClN2.7C10H7N2.C6H5NO2.C5H4N2O2.4C5H8O2.13Ir/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;1-2-7-15-14(6-1)17-8-5-9-18-16(11-12-19(15)21(17)18)20-10-3-4-13-22-20;1-12-6-5-11-17-16(12)15-10-4-8-13-7-2-3-9-14(13)15;2*1-8-6-11(14-15-12(8)13)9-4-3-5-10(7-9)16-2;4*1-2-6-10(7-3-1)11-8-4-5-9-12-11;2*1-10(2,3)8(12)7-9(13)11(4,5)6;11-10-7-6-9(12-13-10)8-4-2-1-3-5-8;7*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;4*1-4(6)3-5(2)7;;;;;;;;;;;;;/h1-14,16-17H;1-10,12-13H;2-9,11H,1H3;2*3,5-7H,1-2H3;4*1-6,8-9H;2*7,12H,1-6H3;1-4,6-7H;7*1-5,7-8H;1-4H,(H,8,9);1-3H,(H,8,9);4*3,6H,1-2H3;;;;;;;;;;;;;/q9*-1;;;8*-1;;;;;;;;;;;;;;;;;;;.
What are the key properties of bis(3-chloro-6-(3-methoxybenzene-6-id-1-yl)-4-methylpyridazine);3-chloro-6-phenylpyridazine;2-(2H-fluoranthen-2-id-3-yl)pyridine;tetrakis(4-hydroxypent-3-en-2-one);bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tridecakis(iridium);3-methyl-2-(2H-naphthalen-2-id-1-yl)pyridine;2-(2H-naphthalen-2-id-1-yl)-3-naphthalen-1-ylpyridine;heptakis(3-phenylpyridazine);tetrakis(2-phenylpyridine);pyrazine-2-carboxylic acid;pyridine-2-carboxylic acid?
bis(3-chloro-6-(3-methoxybenzene-6-id-1-yl)-4-methylpyridazine);3-chloro-6-phenylpyridazine;2-(2H-fluoranthen-2-id-3-yl)pyridine;tetrakis(4-hydroxypent-3-en-2-one);bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tridecakis(iridium);3-methyl-2-(2H-naphthalen-2-id-1-yl)pyridine;2-(2H-naphthalen-2-id-1-yl)-3-naphthalen-1-ylpyridine;heptakis(3-phenylpyridazine);tetrakis(2-phenylpyridine);pyrazine-2-carboxylic acid;pyridine-2-carboxylic acid has a molecular weight of 6702.09 g/mol, XLogP of 59.36, 28 rotatable bonds, 8 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-chloro-6-(3-methoxybenzene-6-id-1-yl)-4-methylpyridazine);3-chloro-6-phenylpyridazine;2-(2H-fluoranthen-2-id-3-yl)pyridine;tetrakis(4-hydroxypent-3-en-2-one);bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tridecakis(iridium);3-methyl-2-(2H-naphthalen-2-id-1-yl)pyridine;2-(2H-naphthalen-2-id-1-yl)-3-naphthalen-1-ylpyridine;heptakis(3-phenylpyridazine);tetrakis(2-phenylpyridine);pyrazine-2-carboxylic acid;pyridine-2-carboxylic acid is sourced from PubChem (CID 159160458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).