heptakis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;4-hydroxypent-3-en-2-one;platinum;bis(platinum(2+));pyridine-2-carboxylic acid

C100H71F20N8O13Pt5-3 — CID 159130091

About heptakis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;4-hydroxypent-3-en-2-one;platinum;bis(platinum(2+));pyridine-2-carboxylic acid

heptakis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;4-hydroxypent-3-en-2-one;platinum;bis(platinum(2+));pyridine-2-carboxylic acid (PubChem CID 159130091) has the molecular formula C100H71F20N8O13Pt5-3 and a molecular weight of 2948.06 g/mol. Its IUPAC name is heptakis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;4-hydroxypent-3-en-2-one;platinum;bis(platinum(2+));pyridine-2-carboxylic acid.

Molecular Properties

• Compound Name: heptakis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;4-hydroxypent-3-en-2-one;platinum;bis(platinum(2+));pyridine-2-carboxylic acid
• PubChem CID: 159130091
• Molecular Formula: C100H71F20N8O13Pt5-3
• Molecular Weight: 2948.06 g/mol
• Exact Mass: 2946.31
• IUPAC Name: heptakis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;4-hydroxypent-3-en-2-one;platinum;bis(platinum(2+));pyridine-2-carboxylic acid
• SMILES: CC(=O)C=C(C)O.COc1ccnc(-c2[c-]cc(F)cc2F)c1.COc1ccnc(-c2[c-]cc(F)cc2F)c1.COc1ccnc(-c2[c-]cc(F)cc2F)c1.COc1ccnc(-c2[c-]cc(F)cc2F)c1.COc1ccnc(-c2[c-]cc(F)cc2F)c1.COc1ccnc(-c2[c-]cc(F)cc2F)c1.COc1ccnc(-c2[c-]cc(F)cc2F)c1.O=C(C=C(O)C(F)(F)F)C(F)(F)F.O=C(O)c1ccccn1.[Pt+2].[Pt+2].[Pt].[Pt].[Pt]
• InChI: InChI=1S/7C12H8F2NO.C6H5NO2.C5H2F6O2.C5H8O2.5Pt/c7*1-16-9-4-5-15-12(7-9)10-3-2-8(13)6-11(10)14;8-6(9)5-3-1-2-4-7-5;6-4(7,8)2(12)1-3(13)5(9,10)11;1-4(6)3-5(2)7;;;;;/h7*2,4-7H,1H3;1-4H,(H,8,9);1,12H;3,6H,1-2H3;;;;;/q7*-1;;;;;;;2*+2
• InChIKey: CPFPJVIQHVPXAP-UHFFFAOYSA-N
• XLogP: 23.78
• TPSA: 279.63 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 20
• Rotatable Bonds: 17
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2948.06
LogP ≤ 5	23.78
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	20

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 heptakis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;4-hydroxypent-3-en-2-one;platinum;bis(platinum(2+));pyridine-2-carboxylic acid?

The IUPAC name of heptakis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;4-hydroxypent-3-en-2-one;platinum;bis(platinum(2+));pyridine-2-carboxylic acid (CID 159130091) is heptakis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;4-hydroxypent-3-en-2-one;platinum;bis(platinum(2+));pyridine-2-carboxylic acid.

What is the SMILES notation for heptakis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;4-hydroxypent-3-en-2-one;platinum;bis(platinum(2+));pyridine-2-carboxylic acid?

The canonical SMILES for heptakis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;4-hydroxypent-3-en-2-one;platinum;bis(platinum(2+));pyridine-2-carboxylic acid is CC(=O)C=C(C)O.COc1ccnc(-c2[c-]cc(F)cc2F)c1.COc1ccnc(-c2[c-]cc(F)cc2F)c1.COc1ccnc(-c2[c-]cc(F)cc2F)c1.COc1ccnc(-c2[c-]cc(F)cc2F)c1.COc1ccnc(-c2[c-]cc(F)cc2F)c1.COc1ccnc(-c2[c-]cc(F)cc2F)c1.COc1ccnc(-c2[c-]cc(F)cc2F)c1.O=C(C=C(O)C(F)(F)F)C(F)(F)F.O=C(O)c1ccccn1.[Pt+2].[Pt+2].[Pt].[Pt].[Pt].

What is the InChIKey of heptakis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;4-hydroxypent-3-en-2-one;platinum;bis(platinum(2+));pyridine-2-carboxylic acid?

The InChIKey is CPFPJVIQHVPXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/7C12H8F2NO.C6H5NO2.C5H2F6O2.C5H8O2.5Pt/c7*1-16-9-4-5-15-12(7-9)10-3-2-8(13)6-11(10)14;8-6(9)5-3-1-2-4-7-5;6-4(7,8)2(12)1-3(13)5(9,10)11;1-4(6)3-5(2)7;;;;;/h7*2,4-7H,1H3;1-4H,(H,8,9);1,12H;3,6H,1-2H3;;;;;/q7*-1;;;;;;;2*+2.

What are the key properties of heptakis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;4-hydroxypent-3-en-2-one;platinum;bis(platinum(2+));pyridine-2-carboxylic acid?

heptakis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;4-hydroxypent-3-en-2-one;platinum;bis(platinum(2+));pyridine-2-carboxylic acid has a molecular weight of 2948.06 g/mol, XLogP of 23.78, 17 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for heptakis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;4-hydroxypent-3-en-2-one;platinum;bis(platinum(2+));pyridine-2-carboxylic acid is sourced from PubChem (CID 159130091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).