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

C276H242Cl3Ir14N33O20-18 — CID 162246096

About bis(3-chloro-6-(3-methoxybenzene-6-id-1-yl)-4-methylpyridazine);3-chloro-6-phenylpyridazine;pentakis(4-hydroxypent-3-en-2-one);bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tetradecakis(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-phenylpyridine;2-(2H-naphthalen-2-id-1-yl)pyridine-3-carbonitrile;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;pentakis(4-hydroxypent-3-en-2-one);bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tetradecakis(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-phenylpyridine;2-(2H-naphthalen-2-id-1-yl)pyridine-3-carbonitrile;heptakis(3-phenylpyridazine);tetrakis(2-phenylpyridine);pyrazine-2-carboxylic acid;pyridine-2-carboxylic acid (PubChem CID 162246096) has the molecular formula C276H242Cl3Ir14N33O20-18 and a molecular weight of 7138.58 g/mol. Its IUPAC name is bis(3-chloro-6-(3-methoxybenzene-6-id-1-yl)-4-methylpyridazine);3-chloro-6-phenylpyridazine;pentakis(4-hydroxypent-3-en-2-one);bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tetradecakis(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-phenylpyridine;2-(2H-naphthalen-2-id-1-yl)pyridine-3-carbonitrile;heptakis(3-phenylpyridazine);tetrakis(2-phenylpyridine);pyrazine-2-carboxylic acid;pyridine-2-carboxylic acid.

Molecular Properties

• Compound Name: bis(3-chloro-6-(3-methoxybenzene-6-id-1-yl)-4-methylpyridazine);3-chloro-6-phenylpyridazine;pentakis(4-hydroxypent-3-en-2-one);bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tetradecakis(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-phenylpyridine;2-(2H-naphthalen-2-id-1-yl)pyridine-3-carbonitrile;heptakis(3-phenylpyridazine);tetrakis(2-phenylpyridine);pyrazine-2-carboxylic acid;pyridine-2-carboxylic acid
• PubChem CID: 162246096
• Molecular Formula: C276H242Cl3Ir14N33O20-18
• Molecular Weight: 7138.58 g/mol
• Exact Mass: 7144.29
• IUPAC Name: bis(3-chloro-6-(3-methoxybenzene-6-id-1-yl)-4-methylpyridazine);3-chloro-6-phenylpyridazine;pentakis(4-hydroxypent-3-en-2-one);bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tetradecakis(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-phenylpyridine;2-(2H-naphthalen-2-id-1-yl)pyridine-3-carbonitrile;heptakis(3-phenylpyridazine);tetrakis(2-phenylpyridine);pyrazine-2-carboxylic acid;pyridine-2-carboxylic acid
• SMILES: 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.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.Cc1c[c-]c(-c2ncccc2C#N)c2ccccc12.Cc1cccnc1-c1[c-]ccc2ccccc12.Clc1ccc(-c2[c-]cccc2)nn1.N#Cc1cccnc1-c1[c-]ccc2ccccc12.O=C(O)c1ccccn1.O=C(O)c1cnccn1.[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.[c-]1ccccc1-c1cccnn1.[c-]1ccccc1-c1cccnn1.[c-]1ccccc1-c1cccnn1
• InChI: InChI=1S/C21H14N.C17H11N2.C16H9N2.C16H12N.2C12H10ClN2O.4C11H8N.2C11H20O2.C10H6ClN2.7C10H7N2.C6H5NO2.C5H4N2O2.5C5H8O2.14Ir/c1-2-8-17(9-3-1)19-14-7-15-22-21(19)20-13-6-11-16-10-4-5-12-18(16)20;1-12-8-9-16(15-7-3-2-6-14(12)15)17-13(11-18)5-4-10-19-17;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;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;5*1-4(6)3-5(2)7;;;;;;;;;;;;;;/h1-12,14-15H;2-8,10H,1H3;1-8,10H;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);5*3,6H,1-2H3;;;;;;;;;;;;;;/q10*-1;;;8*-1
• InChIKey: SJUKTOXIYISIGC-UHFFFAOYSA-N
• XLogP: 61.35
• TPSA: 801.33 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 51
• Rotatable Bonds: 30
• Heavy Atoms: 346
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	7138.58
LogP ≤ 5	61.35
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	51

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;pentakis(4-hydroxypent-3-en-2-one);bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tetradecakis(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-phenylpyridine;2-(2H-naphthalen-2-id-1-yl)pyridine-3-carbonitrile;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;pentakis(4-hydroxypent-3-en-2-one);bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tetradecakis(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-phenylpyridine;2-(2H-naphthalen-2-id-1-yl)pyridine-3-carbonitrile;heptakis(3-phenylpyridazine);tetrakis(2-phenylpyridine);pyrazine-2-carboxylic acid;pyridine-2-carboxylic acid (CID 162246096) is bis(3-chloro-6-(3-methoxybenzene-6-id-1-yl)-4-methylpyridazine);3-chloro-6-phenylpyridazine;pentakis(4-hydroxypent-3-en-2-one);bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tetradecakis(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-phenylpyridine;2-(2H-naphthalen-2-id-1-yl)pyridine-3-carbonitrile;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;pentakis(4-hydroxypent-3-en-2-one);bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tetradecakis(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-phenylpyridine;2-(2H-naphthalen-2-id-1-yl)pyridine-3-carbonitrile;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;pentakis(4-hydroxypent-3-en-2-one);bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tetradecakis(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-phenylpyridine;2-(2H-naphthalen-2-id-1-yl)pyridine-3-carbonitrile;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(=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.Cc1c[c-]c(-c2ncccc2C#N)c2ccccc12.Cc1cccnc1-c1[c-]ccc2ccccc12.Clc1ccc(-c2[c-]cccc2)nn1.N#Cc1cccnc1-c1[c-]ccc2ccccc12.O=C(O)c1ccccn1.O=C(O)c1cnccn1.[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.[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;pentakis(4-hydroxypent-3-en-2-one);bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tetradecakis(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-phenylpyridine;2-(2H-naphthalen-2-id-1-yl)pyridine-3-carbonitrile;heptakis(3-phenylpyridazine);tetrakis(2-phenylpyridine);pyrazine-2-carboxylic acid;pyridine-2-carboxylic acid?

The InChIKey is SJUKTOXIYISIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N.C17H11N2.C16H9N2.C16H12N.2C12H10ClN2O.4C11H8N.2C11H20O2.C10H6ClN2.7C10H7N2.C6H5NO2.C5H4N2O2.5C5H8O2.14Ir/c1-2-8-17(9-3-1)19-14-7-15-22-21(19)20-13-6-11-16-10-4-5-12-18(16)20;1-12-8-9-16(15-7-3-2-6-14(12)15)17-13(11-18)5-4-10-19-17;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;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;5*1-4(6)3-5(2)7;;;;;;;;;;;;;;/h1-12,14-15H;2-8,10H,1H3;1-8,10H;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);5*3,6H,1-2H3;;;;;;;;;;;;;;/q10*-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;pentakis(4-hydroxypent-3-en-2-one);bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tetradecakis(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-phenylpyridine;2-(2H-naphthalen-2-id-1-yl)pyridine-3-carbonitrile;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;pentakis(4-hydroxypent-3-en-2-one);bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tetradecakis(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-phenylpyridine;2-(2H-naphthalen-2-id-1-yl)pyridine-3-carbonitrile;heptakis(3-phenylpyridazine);tetrakis(2-phenylpyridine);pyrazine-2-carboxylic acid;pyridine-2-carboxylic acid has a molecular weight of 7138.58 g/mol, XLogP of 61.35, 30 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;pentakis(4-hydroxypent-3-en-2-one);bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tetradecakis(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-phenylpyridine;2-(2H-naphthalen-2-id-1-yl)pyridine-3-carbonitrile;heptakis(3-phenylpyridazine);tetrakis(2-phenylpyridine);pyrazine-2-carboxylic acid;pyridine-2-carboxylic acid is sourced from PubChem (CID 162246096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).