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

C337H283Cl3Ir15N32O20-20 — CID 159614014

IUPACbis(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
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(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.Cc1[c-]c(-c2ccc3cc(-c4ccccc4)ccc3n2)cc(C)c1.Cc1c[c-]c(-c2ccc3cc(-c4ccccc4)ccc3n2)cc1.Cc1c[c-]c(-c2ncccc2C#N)c2ccccc12.Cc1cccnc1-c1[c-]cc2c3c(cccc13)CC2.Cc1cccnc1-c1[c-]ccc2ccccc12.Clc1ccc(-c2[c-]cccc2)nn1.N#Cc1cccnc1-c1[c-]cc2c3c(cccc13)CC2.N#Cc1cccnc1-c1[c-]ccc2ccccc12.O=C(O)c1cnccn1.[C-](=C/c1ccc2ccccc2n1)\c1ccccc1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc2ccccc2c1-c1ncccc1-c1ccccc1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1cccnn1.[c-]1ccccc1-c1cccnn1.[c-]1ccccc1-c1cccnn1.[c-]1ccccc1-c1cccnn1
InChIInChI=1S/C23H18N.C22H16N.C21H14N.C18H11N2.C18H14N.C17H11N2.C17H12N.C16H9N2.C16H12N.2C12H10ClN2O.4C11H8N.C11H20O2.C10H6ClN2.4C10H7N2.C5H4N2O2.7C5H8O2.15Ir/c1-16-12-17(2)14-21(13-16)23-11-9-20-15-19(8-10-22(20)24-23)18-6-4-3-5-7-18;1-16-7-9-18(10-8-16)21-14-12-20-15-19(11-13-22(20)23-21)17-5-3-2-4-6-17;1-2-8-17(9-3-1)19-14-7-15-22-21(19)20-13-6-11-16-10-4-5-12-18(16)20;19-11-14-4-2-10-20-18(14)16-9-8-13-7-6-12-3-1-5-15(16)17(12)13;1-12-4-3-11-19-18(12)16-10-9-14-8-7-13-5-2-6-15(16)17(13)14;1-12-8-9-16(15-7-3-2-6-14(12)15)17-13(11-18)5-4-10-19-17;1-2-6-14(7-3-1)10-12-16-13-11-15-8-4-5-9-17(15)18-16;17-11-13-7-4-10-18-16(13)15-9-3-6-12-5-1-2-8-14(12)15;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;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;4*1-2-5-9(6-3-1)10-7-4-8-11-12-10;8-5(9)4-3-6-1-2-7-4;7*1-4(6)3-5(2)7;;;;;;;;;;;;;;;/h3-13,15H,1-2H3;2-9,11-15H,1H3;1-12,14-15H;1-5,8,10H,6-7H2;2-6,9,11H,7-8H2,1H3;2-8,10H,1H3;1-9,11-13H;1-8,10H;2-9,11H,1H3;2*3,5-7H,1-2H3;4*1-6,8-9H;7,12H,1-6H3;1-4,6-7H;4*1-5,7-8H;1-3H,(H,8,9);7*3,6H,1-2H3;;;;;;;;;;;;;;;/q15*-1;;5*-1;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyIOHXSHZYLIAWCC-UHFFFAOYSA-N
MW8090.79 g/mol
LogP77.26
Rot. Bonds35

About 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

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 (PubChem CID 159614014) has the molecular formula C337H283Cl3Ir15N32O20-20 and a molecular weight of 8090.79 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namebis(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
PubChem CID159614014
Molecular FormulaC337H283Cl3Ir15N32O20-20
Molecular Weight8090.79 g/mol
Exact Mass8096.57
IUPAC Namebis(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
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(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.Cc1[c-]c(-c2ccc3cc(-c4ccccc4)ccc3n2)cc(C)c1.Cc1c[c-]c(-c2ccc3cc(-c4ccccc4)ccc3n2)cc1.Cc1c[c-]c(-c2ncccc2C#N)c2ccccc12.Cc1cccnc1-c1[c-]cc2c3c(cccc13)CC2.Cc1cccnc1-c1[c-]ccc2ccccc12.Clc1ccc(-c2[c-]cccc2)nn1.N#Cc1cccnc1-c1[c-]cc2c3c(cccc13)CC2.N#Cc1cccnc1-c1[c-]ccc2ccccc12.O=C(O)c1cnccn1.[C-](=C/c1ccc2ccccc2n1)\c1ccccc1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc2ccccc2c1-c1ncccc1-c1ccccc1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1cccnn1.[c-]1ccccc1-c1cccnn1.[c-]1ccccc1-c1cccnn1.[c-]1ccccc1-c1cccnn1
InChIInChI=1S/C23H18N.C22H16N.C21H14N.C18H11N2.C18H14N.C17H11N2.C17H12N.C16H9N2.C16H12N.2C12H10ClN2O.4C11H8N.C11H20O2.C10H6ClN2.4C10H7N2.C5H4N2O2.7C5H8O2.15Ir/c1-16-12-17(2)14-21(13-16)23-11-9-20-15-19(8-10-22(20)24-23)18-6-4-3-5-7-18;1-16-7-9-18(10-8-16)21-14-12-20-15-19(11-13-22(20)23-21)17-5-3-2-4-6-17;1-2-8-17(9-3-1)19-14-7-15-22-21(19)20-13-6-11-16-10-4-5-12-18(16)20;19-11-14-4-2-10-20-18(14)16-9-8-13-7-6-12-3-1-5-15(16)17(12)13;1-12-4-3-11-19-18(12)16-10-9-14-8-7-13-5-2-6-15(16)17(13)14;1-12-8-9-16(15-7-3-2-6-14(12)15)17-13(11-18)5-4-10-19-17;1-2-6-14(7-3-1)10-12-16-13-11-15-8-4-5-9-17(15)18-16;17-11-13-7-4-10-18-16(13)15-9-3-6-12-5-1-2-8-14(12)15;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;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;4*1-2-5-9(6-3-1)10-7-4-8-11-12-10;8-5(9)4-3-6-1-2-7-4;7*1-4(6)3-5(2)7;;;;;;;;;;;;;;;/h3-13,15H,1-2H3;2-9,11-15H,1H3;1-12,14-15H;1-5,8,10H,6-7H2;2-6,9,11H,7-8H2,1H3;2-8,10H,1H3;1-9,11-13H;1-8,10H;2-9,11H,1H3;2*3,5-7H,1-2H3;4*1-6,8-9H;7,12H,1-6H3;1-4,6-7H;4*1-5,7-8H;1-3H,(H,8,9);7*3,6H,1-2H3;;;;;;;;;;;;;;;/q15*-1;;5*-1;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyIOHXSHZYLIAWCC-UHFFFAOYSA-N
XLogP77.26
TPSA799.34 Ų
H-Bond Donors9
H-Bond Acceptors51
Rotatable Bonds35
Heavy Atoms407
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5008090.79
LogP ≤ 577.26
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1051

Analyze 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 with MolForge

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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-(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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 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(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.Cc1[c-]c(-c2ccc3cc(-c4ccccc4)ccc3n2)cc(C)c1.Cc1c[c-]c(-c2ccc3cc(-c4ccccc4)ccc3n2)cc1.Cc1c[c-]c(-c2ncccc2C#N)c2ccccc12.Cc1cccnc1-c1[c-]cc2c3c(cccc13)CC2.Cc1cccnc1-c1[c-]ccc2ccccc12.Clc1ccc(-c2[c-]cccc2)nn1.N#Cc1cccnc1-c1[c-]cc2c3c(cccc13)CC2.N#Cc1cccnc1-c1[c-]ccc2ccccc12.O=C(O)c1cnccn1.[C-](=C/c1ccc2ccccc2n1)\c1ccccc1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc2ccccc2c1-c1ncccc1-c1ccccc1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[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-(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?
The InChIKey is IOHXSHZYLIAWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N.C22H16N.C21H14N.C18H11N2.C18H14N.C17H11N2.C17H12N.C16H9N2.C16H12N.2C12H10ClN2O.4C11H8N.C11H20O2.C10H6ClN2.4C10H7N2.C5H4N2O2.7C5H8O2.15Ir/c1-16-12-17(2)14-21(13-16)23-11-9-20-15-19(8-10-22(20)24-23)18-6-4-3-5-7-18;1-16-7-9-18(10-8-16)21-14-12-20-15-19(11-13-22(20)23-21)17-5-3-2-4-6-17;1-2-8-17(9-3-1)19-14-7-15-22-21(19)20-13-6-11-16-10-4-5-12-18(16)20;19-11-14-4-2-10-20-18(14)16-9-8-13-7-6-12-3-1-5-15(16)17(12)13;1-12-4-3-11-19-18(12)16-10-9-14-8-7-13-5-2-6-15(16)17(13)14;1-12-8-9-16(15-7-3-2-6-14(12)15)17-13(11-18)5-4-10-19-17;1-2-6-14(7-3-1)10-12-16-13-11-15-8-4-5-9-17(15)18-16;17-11-13-7-4-10-18-16(13)15-9-3-6-12-5-1-2-8-14(12)15;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;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;4*1-2-5-9(6-3-1)10-7-4-8-11-12-10;8-5(9)4-3-6-1-2-7-4;7*1-4(6)3-5(2)7;;;;;;;;;;;;;;;/h3-13,15H,1-2H3;2-9,11-15H,1H3;1-12,14-15H;1-5,8,10H,6-7H2;2-6,9,11H,7-8H2,1H3;2-8,10H,1H3;1-9,11-13H;1-8,10H;2-9,11H,1H3;2*3,5-7H,1-2H3;4*1-6,8-9H;7,12H,1-6H3;1-4,6-7H;4*1-5,7-8H;1-3H,(H,8,9);7*3,6H,1-2H3;;;;;;;;;;;;;;;/q15*-1;;5*-1;;;;;;;;;;;;;;;;;;;;;;;.
What are the key properties of 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?
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 has a molecular weight of 8090.79 g/mol, XLogP of 77.26, 35 rotatable bonds, 9 hydrogen bond donors, and 51 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-(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 is sourced from PubChem (CID 159614014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).