bis(2-(2,4-dimethoxybenzene-6-id-1-yl)-4-ethylsulfanylpyridine);pentakis(2-(2,4-dimethoxybenzene-6-id-1-yl)-4-methylsulfanylpyridine);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

C116H117F6N8O20Pt5S7-3 — CID 160601620

About bis(2-(2,4-dimethoxybenzene-6-id-1-yl)-4-ethylsulfanylpyridine);pentakis(2-(2,4-dimethoxybenzene-6-id-1-yl)-4-methylsulfanylpyridine);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

bis(2-(2,4-dimethoxybenzene-6-id-1-yl)-4-ethylsulfanylpyridine);pentakis(2-(2,4-dimethoxybenzene-6-id-1-yl)-4-methylsulfanylpyridine);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 160601620) has the molecular formula C116H117F6N8O20Pt5S7-3 and a molecular weight of 3257.09 g/mol. Its IUPAC name is bis(2-(2,4-dimethoxybenzene-6-id-1-yl)-4-ethylsulfanylpyridine);pentakis(2-(2,4-dimethoxybenzene-6-id-1-yl)-4-methylsulfanylpyridine);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: bis(2-(2,4-dimethoxybenzene-6-id-1-yl)-4-ethylsulfanylpyridine);pentakis(2-(2,4-dimethoxybenzene-6-id-1-yl)-4-methylsulfanylpyridine);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: 160601620
• Molecular Formula: C116H117F6N8O20Pt5S7-3
• Molecular Weight: 3257.09 g/mol
• Exact Mass: 3254.46
• IUPAC Name: bis(2-(2,4-dimethoxybenzene-6-id-1-yl)-4-ethylsulfanylpyridine);pentakis(2-(2,4-dimethoxybenzene-6-id-1-yl)-4-methylsulfanylpyridine);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.CCSc1ccnc(-c2[c-]cc(OC)cc2OC)c1.CCSc1ccnc(-c2[c-]cc(OC)cc2OC)c1.COc1c[c-]c(-c2cc(SC)ccn2)c(OC)c1.COc1c[c-]c(-c2cc(SC)ccn2)c(OC)c1.COc1c[c-]c(-c2cc(SC)ccn2)c(OC)c1.COc1c[c-]c(-c2cc(SC)ccn2)c(OC)c1.COc1c[c-]c(-c2cc(SC)ccn2)c(OC)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/2C15H16NO2S.5C14H14NO2S.C6H5NO2.C5H2F6O2.C5H8O2.5Pt/c2*1-4-19-12-7-8-16-14(10-12)13-6-5-11(17-2)9-15(13)18-3;5*1-16-10-4-5-12(14(8-10)17-2)13-9-11(18-3)6-7-15-13;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;;;;;/h2*5,7-10H,4H2,1-3H3;5*4,6-9H,1-3H3;1-4H,(H,8,9);1,12H;3,6H,1-2H3;;;;;/q7*-1;;;;;;;2*+2
• InChIKey: JCRKYZFCKSSLFF-UHFFFAOYSA-N
• XLogP: 27.72
• TPSA: 344.24 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 34
• Rotatable Bonds: 33
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3257.09
LogP ≤ 5	27.72
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	34

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(2-(2,4-dimethoxybenzene-6-id-1-yl)-4-ethylsulfanylpyridine);pentakis(2-(2,4-dimethoxybenzene-6-id-1-yl)-4-methylsulfanylpyridine);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 bis(2-(2,4-dimethoxybenzene-6-id-1-yl)-4-ethylsulfanylpyridine);pentakis(2-(2,4-dimethoxybenzene-6-id-1-yl)-4-methylsulfanylpyridine);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 160601620) is bis(2-(2,4-dimethoxybenzene-6-id-1-yl)-4-ethylsulfanylpyridine);pentakis(2-(2,4-dimethoxybenzene-6-id-1-yl)-4-methylsulfanylpyridine);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 bis(2-(2,4-dimethoxybenzene-6-id-1-yl)-4-ethylsulfanylpyridine);pentakis(2-(2,4-dimethoxybenzene-6-id-1-yl)-4-methylsulfanylpyridine);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 bis(2-(2,4-dimethoxybenzene-6-id-1-yl)-4-ethylsulfanylpyridine);pentakis(2-(2,4-dimethoxybenzene-6-id-1-yl)-4-methylsulfanylpyridine);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.CCSc1ccnc(-c2[c-]cc(OC)cc2OC)c1.CCSc1ccnc(-c2[c-]cc(OC)cc2OC)c1.COc1c[c-]c(-c2cc(SC)ccn2)c(OC)c1.COc1c[c-]c(-c2cc(SC)ccn2)c(OC)c1.COc1c[c-]c(-c2cc(SC)ccn2)c(OC)c1.COc1c[c-]c(-c2cc(SC)ccn2)c(OC)c1.COc1c[c-]c(-c2cc(SC)ccn2)c(OC)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 bis(2-(2,4-dimethoxybenzene-6-id-1-yl)-4-ethylsulfanylpyridine);pentakis(2-(2,4-dimethoxybenzene-6-id-1-yl)-4-methylsulfanylpyridine);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 JCRKYZFCKSSLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H16NO2S.5C14H14NO2S.C6H5NO2.C5H2F6O2.C5H8O2.5Pt/c2*1-4-19-12-7-8-16-14(10-12)13-6-5-11(17-2)9-15(13)18-3;5*1-16-10-4-5-12(14(8-10)17-2)13-9-11(18-3)6-7-15-13;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;;;;;/h2*5,7-10H,4H2,1-3H3;5*4,6-9H,1-3H3;1-4H,(H,8,9);1,12H;3,6H,1-2H3;;;;;/q7*-1;;;;;;;2*+2.

What are the key properties of bis(2-(2,4-dimethoxybenzene-6-id-1-yl)-4-ethylsulfanylpyridine);pentakis(2-(2,4-dimethoxybenzene-6-id-1-yl)-4-methylsulfanylpyridine);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?

bis(2-(2,4-dimethoxybenzene-6-id-1-yl)-4-ethylsulfanylpyridine);pentakis(2-(2,4-dimethoxybenzene-6-id-1-yl)-4-methylsulfanylpyridine);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 3257.09 g/mol, XLogP of 27.72, 33 rotatable bonds, 3 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-(2,4-dimethoxybenzene-6-id-1-yl)-4-ethylsulfanylpyridine);pentakis(2-(2,4-dimethoxybenzene-6-id-1-yl)-4-methylsulfanylpyridine);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 160601620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).