3,5-diphenyl-2-phenylpyrazine;2-(4-fluorobenzene-6-id-1-yl)-4-methylpyridine;tetrakis(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;pyridine-2-carboxylic acid

C123H108F4Ir7N9O10-7 — CID 158711964

About 3,5-diphenyl-2-phenylpyrazine;2-(4-fluorobenzene-6-id-1-yl)-4-methylpyridine;tetrakis(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;pyridine-2-carboxylic acid

3,5-diphenyl-2-phenylpyrazine;2-(4-fluorobenzene-6-id-1-yl)-4-methylpyridine;tetrakis(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;pyridine-2-carboxylic acid (PubChem CID 158711964) has the molecular formula C123H108F4Ir7N9O10-7 and a molecular weight of 3293.78 g/mol. Its IUPAC name is 3,5-diphenyl-2-phenylpyrazine;2-(4-fluorobenzene-6-id-1-yl)-4-methylpyridine;tetrakis(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;pyridine-2-carboxylic acid.

Molecular Properties

• Compound Name: 3,5-diphenyl-2-phenylpyrazine;2-(4-fluorobenzene-6-id-1-yl)-4-methylpyridine;tetrakis(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;pyridine-2-carboxylic acid
• PubChem CID: 158711964
• Molecular Formula: C123H108F4Ir7N9O10-7
• Molecular Weight: 3293.78 g/mol
• Exact Mass: 3297.56
• IUPAC Name: 3,5-diphenyl-2-phenylpyrazine;2-(4-fluorobenzene-6-id-1-yl)-4-methylpyridine;tetrakis(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;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.Cc1c[c-]c(-c2ccccn2)cc1.Cc1cc(-c2ccccn2)[c-]c(C(F)(F)F)c1.Cc1cc[c-]c(-c2ccccn2)c1.Cc1ccnc(-c2[c-]cc(F)cc2)c1.O=C(O)c1ccccn1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ncc(-c2ccccc2)nc1-c1ccccc1.[c-]1ccccc1-c1nccc2ccccc12
• InChI: InChI=1S/C22H15N2.C15H10N.C13H9F3N.C12H9FN.2C12H10N.C11H8N.C6H5NO2.4C5H8O2.7Ir/c1-4-10-17(11-5-1)20-16-23-21(18-12-6-2-7-13-18)22(24-20)19-14-8-3-9-15-19;1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;1-9-6-10(12-4-2-3-5-17-12)8-11(7-9)13(14,15)16;1-9-6-7-14-12(8-9)10-2-4-11(13)5-3-10;1-10-5-4-6-11(9-10)12-7-2-3-8-13-12;1-10-5-7-11(8-6-10)12-4-2-3-9-13-12;1-2-6-10(7-3-1)11-8-4-5-9-12-11;8-6(9)5-3-1-2-4-7-5;4*1-4(6)3-5(2)7;;;;;;;/h1-12,14-16H;1-7,9-11H;2-7H,1H3;2,4-8H,1H3;2-5,7-9H,1H3;2-7,9H,1H3;1-6,8-9H;1-4H,(H,8,9);4*3,6H,1-2H3;;;;;;;/q7*-1
• InChIKey: ONVDRDQHMCAAEX-UHFFFAOYSA-N
• XLogP: 29.03
• TPSA: 302.51 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 18
• Rotatable Bonds: 14
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3293.78
LogP ≤ 5	29.03
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	18

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 3,5-diphenyl-2-phenylpyrazine;2-(4-fluorobenzene-6-id-1-yl)-4-methylpyridine;tetrakis(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;pyridine-2-carboxylic acid?

The IUPAC name of 3,5-diphenyl-2-phenylpyrazine;2-(4-fluorobenzene-6-id-1-yl)-4-methylpyridine;tetrakis(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;pyridine-2-carboxylic acid (CID 158711964) is 3,5-diphenyl-2-phenylpyrazine;2-(4-fluorobenzene-6-id-1-yl)-4-methylpyridine;tetrakis(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;pyridine-2-carboxylic acid.

What is the SMILES notation for 3,5-diphenyl-2-phenylpyrazine;2-(4-fluorobenzene-6-id-1-yl)-4-methylpyridine;tetrakis(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;pyridine-2-carboxylic acid?

The canonical SMILES for 3,5-diphenyl-2-phenylpyrazine;2-(4-fluorobenzene-6-id-1-yl)-4-methylpyridine;tetrakis(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;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.Cc1c[c-]c(-c2ccccn2)cc1.Cc1cc(-c2ccccn2)[c-]c(C(F)(F)F)c1.Cc1cc[c-]c(-c2ccccn2)c1.Cc1ccnc(-c2[c-]cc(F)cc2)c1.O=C(O)c1ccccn1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ncc(-c2ccccc2)nc1-c1ccccc1.[c-]1ccccc1-c1nccc2ccccc12.

What is the InChIKey of 3,5-diphenyl-2-phenylpyrazine;2-(4-fluorobenzene-6-id-1-yl)-4-methylpyridine;tetrakis(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;pyridine-2-carboxylic acid?

The InChIKey is ONVDRDQHMCAAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N2.C15H10N.C13H9F3N.C12H9FN.2C12H10N.C11H8N.C6H5NO2.4C5H8O2.7Ir/c1-4-10-17(11-5-1)20-16-23-21(18-12-6-2-7-13-18)22(24-20)19-14-8-3-9-15-19;1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;1-9-6-10(12-4-2-3-5-17-12)8-11(7-9)13(14,15)16;1-9-6-7-14-12(8-9)10-2-4-11(13)5-3-10;1-10-5-4-6-11(9-10)12-7-2-3-8-13-12;1-10-5-7-11(8-6-10)12-4-2-3-9-13-12;1-2-6-10(7-3-1)11-8-4-5-9-12-11;8-6(9)5-3-1-2-4-7-5;4*1-4(6)3-5(2)7;;;;;;;/h1-12,14-16H;1-7,9-11H;2-7H,1H3;2,4-8H,1H3;2-5,7-9H,1H3;2-7,9H,1H3;1-6,8-9H;1-4H,(H,8,9);4*3,6H,1-2H3;;;;;;;/q7*-1;;;;;;;;;;;;.

What are the key properties of 3,5-diphenyl-2-phenylpyrazine;2-(4-fluorobenzene-6-id-1-yl)-4-methylpyridine;tetrakis(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;pyridine-2-carboxylic acid?

3,5-diphenyl-2-phenylpyrazine;2-(4-fluorobenzene-6-id-1-yl)-4-methylpyridine;tetrakis(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;pyridine-2-carboxylic acid has a molecular weight of 3293.78 g/mol, XLogP of 29.03, 14 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-diphenyl-2-phenylpyrazine;2-(4-fluorobenzene-6-id-1-yl)-4-methylpyridine;tetrakis(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;pyridine-2-carboxylic acid is sourced from PubChem (CID 158711964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).