bis(3-chloro-6-(3-methoxybenzene-6-id-1-yl)-4-methylpyridazine);tetrakis(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;hexakis(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;2-phenylpyridine

C136H126Cl2Ir6N11O12-7 — CID 162004770

About bis(3-chloro-6-(3-methoxybenzene-6-id-1-yl)-4-methylpyridazine);tetrakis(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;hexakis(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;2-phenylpyridine

bis(3-chloro-6-(3-methoxybenzene-6-id-1-yl)-4-methylpyridazine);tetrakis(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;hexakis(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;2-phenylpyridine (PubChem CID 162004770) has the molecular formula C136H126Cl2Ir6N11O12-7 and a molecular weight of 3330.78 g/mol. Its IUPAC name is bis(3-chloro-6-(3-methoxybenzene-6-id-1-yl)-4-methylpyridazine);tetrakis(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;hexakis(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;2-phenylpyridine.

Molecular Properties

• Compound Name: bis(3-chloro-6-(3-methoxybenzene-6-id-1-yl)-4-methylpyridazine);tetrakis(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;hexakis(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;2-phenylpyridine
• PubChem CID: 162004770
• Molecular Formula: C136H126Cl2Ir6N11O12-7
• Molecular Weight: 3330.78 g/mol
• Exact Mass: 3332.68
• IUPAC Name: bis(3-chloro-6-(3-methoxybenzene-6-id-1-yl)-4-methylpyridazine);tetrakis(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;hexakis(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;2-phenylpyridine
• 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(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.N#Cc1cccnc1-c1[c-]ccc2ccccc12.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc2ccccc2c1-c1ncccc1-c1ccccc1.[c-]1ccccc1-c1ccccn1
• InChI: InChI=1S/C21H14N.C17H11N2.C16H9N2.C16H12N.2C12H10ClN2O.C11H8N.C11H20O2.4C5H8O2.6Ir/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;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;4*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;1-6,8-9H;7,12H,1-6H3;4*3,6H,1-2H3;;;;;;/q7*-1
• InChIKey: PSRBRSIZBAWJKE-UHFFFAOYSA-N
• XLogP: 32.44
• TPSA: 368.55 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 23
• Rotatable Bonds: 15
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3330.78
LogP ≤ 5	32.44
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(3-chloro-6-(3-methoxybenzene-6-id-1-yl)-4-methylpyridazine);tetrakis(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;hexakis(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;2-phenylpyridine?

The IUPAC name of bis(3-chloro-6-(3-methoxybenzene-6-id-1-yl)-4-methylpyridazine);tetrakis(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;hexakis(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;2-phenylpyridine (CID 162004770) is bis(3-chloro-6-(3-methoxybenzene-6-id-1-yl)-4-methylpyridazine);tetrakis(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;hexakis(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;2-phenylpyridine.

What is the SMILES notation for bis(3-chloro-6-(3-methoxybenzene-6-id-1-yl)-4-methylpyridazine);tetrakis(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;hexakis(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;2-phenylpyridine?

The canonical SMILES for bis(3-chloro-6-(3-methoxybenzene-6-id-1-yl)-4-methylpyridazine);tetrakis(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;hexakis(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;2-phenylpyridine 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.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.N#Cc1cccnc1-c1[c-]ccc2ccccc12.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc2ccccc2c1-c1ncccc1-c1ccccc1.[c-]1ccccc1-c1ccccn1.

What is the InChIKey of bis(3-chloro-6-(3-methoxybenzene-6-id-1-yl)-4-methylpyridazine);tetrakis(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;hexakis(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;2-phenylpyridine?

The InChIKey is PSRBRSIZBAWJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N.C17H11N2.C16H9N2.C16H12N.2C12H10ClN2O.C11H8N.C11H20O2.4C5H8O2.6Ir/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;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;4*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;1-6,8-9H;7,12H,1-6H3;4*3,6H,1-2H3;;;;;;/q7*-1;;;;;;;;;;;.

What are the key properties of bis(3-chloro-6-(3-methoxybenzene-6-id-1-yl)-4-methylpyridazine);tetrakis(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;hexakis(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;2-phenylpyridine?

bis(3-chloro-6-(3-methoxybenzene-6-id-1-yl)-4-methylpyridazine);tetrakis(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;hexakis(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;2-phenylpyridine has a molecular weight of 3330.78 g/mol, XLogP of 32.44, 15 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for bis(3-chloro-6-(3-methoxybenzene-6-id-1-yl)-4-methylpyridazine);tetrakis(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;hexakis(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;2-phenylpyridine is sourced from PubChem (CID 162004770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).