potassium;2-(6-bromo-2-pyridinyl)-4-[4-[2-(6-bromo-2-pyridinyl)-6-pyridin-2-yl-4-pyridinyl]phenyl]-6-pyridin-2-ylpyridine;1-(6-bromo-2-pyridinyl)-2-pyridin-1-ium-1-ylethanone;bis((E)-3-[4-[(E)-3-oxo-3-pyridin-2-ylprop-1-enyl]phenyl]-1-pyridin-2-ylprop-2-en-1-one);1-pyridin-2-ylethanone;terephthalaldehyde;hydroxide;iodide

C107H78Br3IKN13O9 — CID 159817848

About potassium;2-(6-bromo-2-pyridinyl)-4-[4-[2-(6-bromo-2-pyridinyl)-6-pyridin-2-yl-4-pyridinyl]phenyl]-6-pyridin-2-ylpyridine;1-(6-bromo-2-pyridinyl)-2-pyridin-1-ium-1-ylethanone;bis((E)-3-[4-[(E)-3-oxo-3-pyridin-2-ylprop-1-enyl]phenyl]-1-pyridin-2-ylprop-2-en-1-one);1-pyridin-2-ylethanone;terephthalaldehyde;hydroxide;iodide

potassium;2-(6-bromo-2-pyridinyl)-4-[4-[2-(6-bromo-2-pyridinyl)-6-pyridin-2-yl-4-pyridinyl]phenyl]-6-pyridin-2-ylpyridine;1-(6-bromo-2-pyridinyl)-2-pyridin-1-ium-1-ylethanone;bis((E)-3-[4-[(E)-3-oxo-3-pyridin-2-ylprop-1-enyl]phenyl]-1-pyridin-2-ylprop-2-en-1-one);1-pyridin-2-ylethanone;terephthalaldehyde;hydroxide;iodide (PubChem CID 159817848) has the molecular formula C107H78Br3IKN13O9 and a molecular weight of 2095.60 g/mol. Its IUPAC name is potassium;2-(6-bromo-2-pyridinyl)-4-[4-[2-(6-bromo-2-pyridinyl)-6-pyridin-2-yl-4-pyridinyl]phenyl]-6-pyridin-2-ylpyridine;1-(6-bromo-2-pyridinyl)-2-pyridin-1-ium-1-ylethanone;bis((E)-3-[4-[(E)-3-oxo-3-pyridin-2-ylprop-1-enyl]phenyl]-1-pyridin-2-ylprop-2-en-1-one);1-pyridin-2-ylethanone;terephthalaldehyde;hydroxide;iodide.

Molecular Properties

• Compound Name: potassium;2-(6-bromo-2-pyridinyl)-4-[4-[2-(6-bromo-2-pyridinyl)-6-pyridin-2-yl-4-pyridinyl]phenyl]-6-pyridin-2-ylpyridine;1-(6-bromo-2-pyridinyl)-2-pyridin-1-ium-1-ylethanone;bis((E)-3-[4-[(E)-3-oxo-3-pyridin-2-ylprop-1-enyl]phenyl]-1-pyridin-2-ylprop-2-en-1-one);1-pyridin-2-ylethanone;terephthalaldehyde;hydroxide;iodide
• PubChem CID: 159817848
• Molecular Formula: C107H78Br3IKN13O9
• Molecular Weight: 2095.60 g/mol
• Exact Mass: 2091.23
• IUPAC Name: potassium;2-(6-bromo-2-pyridinyl)-4-[4-[2-(6-bromo-2-pyridinyl)-6-pyridin-2-yl-4-pyridinyl]phenyl]-6-pyridin-2-ylpyridine;1-(6-bromo-2-pyridinyl)-2-pyridin-1-ium-1-ylethanone;bis((E)-3-[4-[(E)-3-oxo-3-pyridin-2-ylprop-1-enyl]phenyl]-1-pyridin-2-ylprop-2-en-1-one);1-pyridin-2-ylethanone;terephthalaldehyde;hydroxide;iodide
• SMILES: Brc1cccc(-c2cc(-c3ccc(-c4cc(-c5ccccn5)nc(-c5cccc(Br)n5)c4)cc3)cc(-c3ccccn3)n2)n1.CC(=O)c1ccccn1.O=C(/C=C/c1ccc(/C=C/C(=O)c2ccccn2)cc1)c1ccccn1.O=C(/C=C/c1ccc(/C=C/C(=O)c2ccccn2)cc1)c1ccccn1.O=C(C[n+]1ccccc1)c1cccc(Br)n1.O=Cc1ccc(C=O)cc1.[I-].[K+].[OH-]
• InChI: InChI=1S/C36H22Br2N6.2C22H16N2O2.C12H10BrN2O.C8H6O2.C7H7NO.HI.K.H2O/c37-35-11-5-9-29(43-35)33-21-25(19-31(41-33)27-7-1-3-17-39-27)23-13-15-24(16-14-23)26-20-32(28-8-2-4-18-40-28)42-34(22-26)30-10-6-12-36(38)44-30;2*25-21(19-5-1-3-15-23-19)13-11-17-7-9-18(10-8-17)12-14-22(26)20-6-2-4-16-24-20;13-12-6-4-5-10(14-12)11(16)9-15-7-2-1-3-8-15;9-5-7-1-2-8(6-10)4-3-7;1-6(9)7-4-2-3-5-8-7;;;/h1-22H;2*1-16H;1-8H,9H2;1-6H;2-5H,1H3;1H;;1H2/q;;;+1;;;;+1;/p-2/b;2*13-11+,14-12+
• InChIKey: LDUYJELOWLTCHZ-CSDZDWFSSA-L
• XLogP: 16.56
• TPSA: 325.12 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 24
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2095.60
LogP ≤ 5	16.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of potassium;2-(6-bromo-2-pyridinyl)-4-[4-[2-(6-bromo-2-pyridinyl)-6-pyridin-2-yl-4-pyridinyl]phenyl]-6-pyridin-2-ylpyridine;1-(6-bromo-2-pyridinyl)-2-pyridin-1-ium-1-ylethanone;bis((E)-3-[4-[(E)-3-oxo-3-pyridin-2-ylprop-1-enyl]phenyl]-1-pyridin-2-ylprop-2-en-1-one);1-pyridin-2-ylethanone;terephthalaldehyde;hydroxide;iodide?

The IUPAC name of potassium;2-(6-bromo-2-pyridinyl)-4-[4-[2-(6-bromo-2-pyridinyl)-6-pyridin-2-yl-4-pyridinyl]phenyl]-6-pyridin-2-ylpyridine;1-(6-bromo-2-pyridinyl)-2-pyridin-1-ium-1-ylethanone;bis((E)-3-[4-[(E)-3-oxo-3-pyridin-2-ylprop-1-enyl]phenyl]-1-pyridin-2-ylprop-2-en-1-one);1-pyridin-2-ylethanone;terephthalaldehyde;hydroxide;iodide (CID 159817848) is potassium;2-(6-bromo-2-pyridinyl)-4-[4-[2-(6-bromo-2-pyridinyl)-6-pyridin-2-yl-4-pyridinyl]phenyl]-6-pyridin-2-ylpyridine;1-(6-bromo-2-pyridinyl)-2-pyridin-1-ium-1-ylethanone;bis((E)-3-[4-[(E)-3-oxo-3-pyridin-2-ylprop-1-enyl]phenyl]-1-pyridin-2-ylprop-2-en-1-one);1-pyridin-2-ylethanone;terephthalaldehyde;hydroxide;iodide.

What is the SMILES notation for potassium;2-(6-bromo-2-pyridinyl)-4-[4-[2-(6-bromo-2-pyridinyl)-6-pyridin-2-yl-4-pyridinyl]phenyl]-6-pyridin-2-ylpyridine;1-(6-bromo-2-pyridinyl)-2-pyridin-1-ium-1-ylethanone;bis((E)-3-[4-[(E)-3-oxo-3-pyridin-2-ylprop-1-enyl]phenyl]-1-pyridin-2-ylprop-2-en-1-one);1-pyridin-2-ylethanone;terephthalaldehyde;hydroxide;iodide?

The canonical SMILES for potassium;2-(6-bromo-2-pyridinyl)-4-[4-[2-(6-bromo-2-pyridinyl)-6-pyridin-2-yl-4-pyridinyl]phenyl]-6-pyridin-2-ylpyridine;1-(6-bromo-2-pyridinyl)-2-pyridin-1-ium-1-ylethanone;bis((E)-3-[4-[(E)-3-oxo-3-pyridin-2-ylprop-1-enyl]phenyl]-1-pyridin-2-ylprop-2-en-1-one);1-pyridin-2-ylethanone;terephthalaldehyde;hydroxide;iodide is Brc1cccc(-c2cc(-c3ccc(-c4cc(-c5ccccn5)nc(-c5cccc(Br)n5)c4)cc3)cc(-c3ccccn3)n2)n1.CC(=O)c1ccccn1.O=C(/C=C/c1ccc(/C=C/C(=O)c2ccccn2)cc1)c1ccccn1.O=C(/C=C/c1ccc(/C=C/C(=O)c2ccccn2)cc1)c1ccccn1.O=C(C[n+]1ccccc1)c1cccc(Br)n1.O=Cc1ccc(C=O)cc1.[I-].[K+].[OH-].

What is the InChIKey of potassium;2-(6-bromo-2-pyridinyl)-4-[4-[2-(6-bromo-2-pyridinyl)-6-pyridin-2-yl-4-pyridinyl]phenyl]-6-pyridin-2-ylpyridine;1-(6-bromo-2-pyridinyl)-2-pyridin-1-ium-1-ylethanone;bis((E)-3-[4-[(E)-3-oxo-3-pyridin-2-ylprop-1-enyl]phenyl]-1-pyridin-2-ylprop-2-en-1-one);1-pyridin-2-ylethanone;terephthalaldehyde;hydroxide;iodide?

The InChIKey is LDUYJELOWLTCHZ-CSDZDWFSSA-L. The full InChI is InChI=1S/C36H22Br2N6.2C22H16N2O2.C12H10BrN2O.C8H6O2.C7H7NO.HI.K.H2O/c37-35-11-5-9-29(43-35)33-21-25(19-31(41-33)27-7-1-3-17-39-27)23-13-15-24(16-14-23)26-20-32(28-8-2-4-18-40-28)42-34(22-26)30-10-6-12-36(38)44-30;2*25-21(19-5-1-3-15-23-19)13-11-17-7-9-18(10-8-17)12-14-22(26)20-6-2-4-16-24-20;13-12-6-4-5-10(14-12)11(16)9-15-7-2-1-3-8-15;9-5-7-1-2-8(6-10)4-3-7;1-6(9)7-4-2-3-5-8-7;;;/h1-22H;2*1-16H;1-8H,9H2;1-6H;2-5H,1H3;1H;;1H2/q;;;+1;;;;+1;/p-2/b;2*13-11+,14-12+;;;;;;.

What are the key properties of potassium;2-(6-bromo-2-pyridinyl)-4-[4-[2-(6-bromo-2-pyridinyl)-6-pyridin-2-yl-4-pyridinyl]phenyl]-6-pyridin-2-ylpyridine;1-(6-bromo-2-pyridinyl)-2-pyridin-1-ium-1-ylethanone;bis((E)-3-[4-[(E)-3-oxo-3-pyridin-2-ylprop-1-enyl]phenyl]-1-pyridin-2-ylprop-2-en-1-one);1-pyridin-2-ylethanone;terephthalaldehyde;hydroxide;iodide?

potassium;2-(6-bromo-2-pyridinyl)-4-[4-[2-(6-bromo-2-pyridinyl)-6-pyridin-2-yl-4-pyridinyl]phenyl]-6-pyridin-2-ylpyridine;1-(6-bromo-2-pyridinyl)-2-pyridin-1-ium-1-ylethanone;bis((E)-3-[4-[(E)-3-oxo-3-pyridin-2-ylprop-1-enyl]phenyl]-1-pyridin-2-ylprop-2-en-1-one);1-pyridin-2-ylethanone;terephthalaldehyde;hydroxide;iodide has a molecular weight of 2095.60 g/mol, XLogP of 16.56, 24 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;2-(6-bromo-2-pyridinyl)-4-[4-[2-(6-bromo-2-pyridinyl)-6-pyridin-2-yl-4-pyridinyl]phenyl]-6-pyridin-2-ylpyridine;1-(6-bromo-2-pyridinyl)-2-pyridin-1-ium-1-ylethanone;bis((E)-3-[4-[(E)-3-oxo-3-pyridin-2-ylprop-1-enyl]phenyl]-1-pyridin-2-ylprop-2-en-1-one);1-pyridin-2-ylethanone;terephthalaldehyde;hydroxide;iodide is sourced from PubChem (CID 159817848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).