1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;4-hydroxypent-3-en-2-one;bis(4-methoxy-2-[3-methyl-5-(trifluoromethyl)benzene-2-id-1-yl]pyridine);pentakis([2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol);platinum;bis(platinum(2+));pyridine-2-carboxylic acid

C114H92F27N8O13Pt5-3 — CID 158505362

About 1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;4-hydroxypent-3-en-2-one;bis(4-methoxy-2-[3-methyl-5-(trifluoromethyl)benzene-2-id-1-yl]pyridine);pentakis([2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol);platinum;bis(platinum(2+));pyridine-2-carboxylic acid

1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;4-hydroxypent-3-en-2-one;bis(4-methoxy-2-[3-methyl-5-(trifluoromethyl)benzene-2-id-1-yl]pyridine);pentakis([2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol);platinum;bis(platinum(2+));pyridine-2-carboxylic acid (PubChem CID 158505362) has the molecular formula C114H92F27N8O13Pt5-3 and a molecular weight of 3270.37 g/mol. Its IUPAC name is 1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;4-hydroxypent-3-en-2-one;bis(4-methoxy-2-[3-methyl-5-(trifluoromethyl)benzene-2-id-1-yl]pyridine);pentakis([2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol);platinum;bis(platinum(2+));pyridine-2-carboxylic acid.

Molecular Properties

• Compound Name: 1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;4-hydroxypent-3-en-2-one;bis(4-methoxy-2-[3-methyl-5-(trifluoromethyl)benzene-2-id-1-yl]pyridine);pentakis([2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol);platinum;bis(platinum(2+));pyridine-2-carboxylic acid
• PubChem CID: 158505362
• Molecular Formula: C114H92F27N8O13Pt5-3
• Molecular Weight: 3270.37 g/mol
• Exact Mass: 3268.46
• IUPAC Name: 1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;4-hydroxypent-3-en-2-one;bis(4-methoxy-2-[3-methyl-5-(trifluoromethyl)benzene-2-id-1-yl]pyridine);pentakis([2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol);platinum;bis(platinum(2+));pyridine-2-carboxylic acid
• SMILES: CC(=O)C=C(C)O.COc1ccnc(-c2[c-]c(C)cc(C(F)(F)F)c2)c1.COc1ccnc(-c2[c-]c(C)cc(C(F)(F)F)c2)c1.Cc1cc(-c2cc(CO)ccn2)[c-]c(C(F)(F)F)c1.Cc1cc(-c2cc(CO)ccn2)[c-]c(C(F)(F)F)c1.Cc1cc(-c2cc(CO)ccn2)[c-]c(C(F)(F)F)c1.Cc1cc(-c2cc(CO)ccn2)[c-]c(C(F)(F)F)c1.Cc1cc(-c2cc(CO)ccn2)[c-]c(C(F)(F)F)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/7C14H11F3NO.C6H5NO2.C5H2F6O2.C5H8O2.5Pt/c2*1-9-5-10(7-11(6-9)14(15,16)17)13-8-12(19-2)3-4-18-13;5*1-9-4-11(7-12(5-9)14(15,16)17)13-6-10(8-19)2-3-18-13;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*3-4,6-8H,1-2H3;5*2-6,19H,8H2,1H3;1-4H,(H,8,9);1,12H;3,6H,1-2H3;;;;;/q7*-1;;;;;;;2*+2
• InChIKey: PHRSCCIPTVCXGJ-UHFFFAOYSA-N
• XLogP: 28.54
• TPSA: 334.63 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 20
• Rotatable Bonds: 17
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3270.37
LogP ≤ 5	28.54
H-Bond Donors ≤ 5	8
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 1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;4-hydroxypent-3-en-2-one;bis(4-methoxy-2-[3-methyl-5-(trifluoromethyl)benzene-2-id-1-yl]pyridine);pentakis([2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol);platinum;bis(platinum(2+));pyridine-2-carboxylic acid?

The IUPAC name of 1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;4-hydroxypent-3-en-2-one;bis(4-methoxy-2-[3-methyl-5-(trifluoromethyl)benzene-2-id-1-yl]pyridine);pentakis([2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol);platinum;bis(platinum(2+));pyridine-2-carboxylic acid (CID 158505362) is 1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;4-hydroxypent-3-en-2-one;bis(4-methoxy-2-[3-methyl-5-(trifluoromethyl)benzene-2-id-1-yl]pyridine);pentakis([2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol);platinum;bis(platinum(2+));pyridine-2-carboxylic acid.

What is the SMILES notation for 1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;4-hydroxypent-3-en-2-one;bis(4-methoxy-2-[3-methyl-5-(trifluoromethyl)benzene-2-id-1-yl]pyridine);pentakis([2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol);platinum;bis(platinum(2+));pyridine-2-carboxylic acid?

The canonical SMILES for 1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;4-hydroxypent-3-en-2-one;bis(4-methoxy-2-[3-methyl-5-(trifluoromethyl)benzene-2-id-1-yl]pyridine);pentakis([2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol);platinum;bis(platinum(2+));pyridine-2-carboxylic acid is CC(=O)C=C(C)O.COc1ccnc(-c2[c-]c(C)cc(C(F)(F)F)c2)c1.COc1ccnc(-c2[c-]c(C)cc(C(F)(F)F)c2)c1.Cc1cc(-c2cc(CO)ccn2)[c-]c(C(F)(F)F)c1.Cc1cc(-c2cc(CO)ccn2)[c-]c(C(F)(F)F)c1.Cc1cc(-c2cc(CO)ccn2)[c-]c(C(F)(F)F)c1.Cc1cc(-c2cc(CO)ccn2)[c-]c(C(F)(F)F)c1.Cc1cc(-c2cc(CO)ccn2)[c-]c(C(F)(F)F)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 1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;4-hydroxypent-3-en-2-one;bis(4-methoxy-2-[3-methyl-5-(trifluoromethyl)benzene-2-id-1-yl]pyridine);pentakis([2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol);platinum;bis(platinum(2+));pyridine-2-carboxylic acid?

The InChIKey is PHRSCCIPTVCXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/7C14H11F3NO.C6H5NO2.C5H2F6O2.C5H8O2.5Pt/c2*1-9-5-10(7-11(6-9)14(15,16)17)13-8-12(19-2)3-4-18-13;5*1-9-4-11(7-12(5-9)14(15,16)17)13-6-10(8-19)2-3-18-13;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*3-4,6-8H,1-2H3;5*2-6,19H,8H2,1H3;1-4H,(H,8,9);1,12H;3,6H,1-2H3;;;;;/q7*-1;;;;;;;2*+2.

What are the key properties of 1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;4-hydroxypent-3-en-2-one;bis(4-methoxy-2-[3-methyl-5-(trifluoromethyl)benzene-2-id-1-yl]pyridine);pentakis([2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol);platinum;bis(platinum(2+));pyridine-2-carboxylic acid?

1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;4-hydroxypent-3-en-2-one;bis(4-methoxy-2-[3-methyl-5-(trifluoromethyl)benzene-2-id-1-yl]pyridine);pentakis([2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol);platinum;bis(platinum(2+));pyridine-2-carboxylic acid has a molecular weight of 3270.37 g/mol, XLogP of 28.54, 17 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;4-hydroxypent-3-en-2-one;bis(4-methoxy-2-[3-methyl-5-(trifluoromethyl)benzene-2-id-1-yl]pyridine);pentakis([2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol);platinum;bis(platinum(2+));pyridine-2-carboxylic acid is sourced from PubChem (CID 158505362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).