tetrakis(2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-4-methylsulfanylpyridine);2-(2,4-difluorobenzene-6-id-1-yl)-4-methylsulfanylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)-4-phenoxypyridine;bis(2-(2-fluorobenzene-6-id-1-yl)-4-methylsulfanylpyridine);bis(2-(4-fluorobenzene-6-id-1-yl)-4-methylsulfanylpyridine);4-hydroxypent-3-en-2-one;platinum;tetrakis(platinum(2+));pyridine-2-carboxylic acid

C144H99F32N11O5Pt6S9-2 — CID 159014963

About tetrakis(2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-4-methylsulfanylpyridine);2-(2,4-difluorobenzene-6-id-1-yl)-4-methylsulfanylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)-4-phenoxypyridine;bis(2-(2-fluorobenzene-6-id-1-yl)-4-methylsulfanylpyridine);bis(2-(4-fluorobenzene-6-id-1-yl)-4-methylsulfanylpyridine);4-hydroxypent-3-en-2-one;platinum;tetrakis(platinum(2+));pyridine-2-carboxylic acid

tetrakis(2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-4-methylsulfanylpyridine);2-(2,4-difluorobenzene-6-id-1-yl)-4-methylsulfanylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)-4-phenoxypyridine;bis(2-(2-fluorobenzene-6-id-1-yl)-4-methylsulfanylpyridine);bis(2-(4-fluorobenzene-6-id-1-yl)-4-methylsulfanylpyridine);4-hydroxypent-3-en-2-one;platinum;tetrakis(platinum(2+));pyridine-2-carboxylic acid (PubChem CID 159014963) has the molecular formula C144H99F32N11O5Pt6S9-2 and a molecular weight of 4130.45 g/mol. Its IUPAC name is tetrakis(2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-4-methylsulfanylpyridine);2-(2,4-difluorobenzene-6-id-1-yl)-4-methylsulfanylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)-4-phenoxypyridine;bis(2-(2-fluorobenzene-6-id-1-yl)-4-methylsulfanylpyridine);bis(2-(4-fluorobenzene-6-id-1-yl)-4-methylsulfanylpyridine);4-hydroxypent-3-en-2-one;platinum;tetrakis(platinum(2+));pyridine-2-carboxylic acid.

Molecular Properties

• Compound Name: tetrakis(2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-4-methylsulfanylpyridine);2-(2,4-difluorobenzene-6-id-1-yl)-4-methylsulfanylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)-4-phenoxypyridine;bis(2-(2-fluorobenzene-6-id-1-yl)-4-methylsulfanylpyridine);bis(2-(4-fluorobenzene-6-id-1-yl)-4-methylsulfanylpyridine);4-hydroxypent-3-en-2-one;platinum;tetrakis(platinum(2+));pyridine-2-carboxylic acid
• PubChem CID: 159014963
• Molecular Formula: C144H99F32N11O5Pt6S9-2
• Molecular Weight: 4130.45 g/mol
• Exact Mass: 4127.27
• IUPAC Name: tetrakis(2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-4-methylsulfanylpyridine);2-(2,4-difluorobenzene-6-id-1-yl)-4-methylsulfanylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)-4-phenoxypyridine;bis(2-(2-fluorobenzene-6-id-1-yl)-4-methylsulfanylpyridine);bis(2-(4-fluorobenzene-6-id-1-yl)-4-methylsulfanylpyridine);4-hydroxypent-3-en-2-one;platinum;tetrakis(platinum(2+));pyridine-2-carboxylic acid
• SMILES: CC(=O)C=C(C)O.CSc1ccnc(-c2[c-]c(C(F)(F)F)cc(C(F)(F)F)c2)c1.CSc1ccnc(-c2[c-]c(C(F)(F)F)cc(C(F)(F)F)c2)c1.CSc1ccnc(-c2[c-]c(C(F)(F)F)cc(C(F)(F)F)c2)c1.CSc1ccnc(-c2[c-]c(C(F)(F)F)cc(C(F)(F)F)c2)c1.CSc1ccnc(-c2[c-]cc(F)cc2)c1.CSc1ccnc(-c2[c-]cc(F)cc2)c1.CSc1ccnc(-c2[c-]cc(F)cc2F)c1.CSc1ccnc(-c2[c-]cccc2F)c1.CSc1ccnc(-c2[c-]cccc2F)c1.Fc1c[c-]c(-c2cc(Oc3ccccc3)ccn2)c(F)c1.O=C(O)c1ccccn1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt].[Pt]
• InChI: InChI=1S/C17H10F2NO.4C14H8F6NS.C12H8F2NS.4C12H9FNS.C6H5NO2.C5H8O2.6Pt/c18-12-6-7-15(16(19)10-12)17-11-14(8-9-20-17)21-13-4-2-1-3-5-13;4*1-22-11-2-3-21-12(7-11)8-4-9(13(15,16)17)6-10(5-8)14(18,19)20;1-16-9-4-5-15-12(7-9)10-3-2-8(13)6-11(10)14;2*1-15-11-6-7-14-12(8-11)9-2-4-10(13)5-3-9;2*1-15-9-6-7-14-12(8-9)10-4-2-3-5-11(10)13;8-6(9)5-3-1-2-4-7-5;1-4(6)3-5(2)7;;;;;;/h1-6,8-11H;4*2-4,6-7H,1H3;2,4-7H,1H3;2*2,4-8H,1H3;2*2-3,5-8H,1H3;1-4H,(H,8,9);3,6H,1-2H3;;;;;;/q10*-1;;;;;4*+2
• InChIKey: GMKKEGALJYSDQT-UHFFFAOYSA-N
• XLogP: 44.84
• TPSA: 225.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 24
• Rotatable Bonds: 23
• Heavy Atoms: 207
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4130.45
LogP ≤ 5	44.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	24

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 tetrakis(2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-4-methylsulfanylpyridine);2-(2,4-difluorobenzene-6-id-1-yl)-4-methylsulfanylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)-4-phenoxypyridine;bis(2-(2-fluorobenzene-6-id-1-yl)-4-methylsulfanylpyridine);bis(2-(4-fluorobenzene-6-id-1-yl)-4-methylsulfanylpyridine);4-hydroxypent-3-en-2-one;platinum;tetrakis(platinum(2+));pyridine-2-carboxylic acid?

The IUPAC name of tetrakis(2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-4-methylsulfanylpyridine);2-(2,4-difluorobenzene-6-id-1-yl)-4-methylsulfanylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)-4-phenoxypyridine;bis(2-(2-fluorobenzene-6-id-1-yl)-4-methylsulfanylpyridine);bis(2-(4-fluorobenzene-6-id-1-yl)-4-methylsulfanylpyridine);4-hydroxypent-3-en-2-one;platinum;tetrakis(platinum(2+));pyridine-2-carboxylic acid (CID 159014963) is tetrakis(2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-4-methylsulfanylpyridine);2-(2,4-difluorobenzene-6-id-1-yl)-4-methylsulfanylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)-4-phenoxypyridine;bis(2-(2-fluorobenzene-6-id-1-yl)-4-methylsulfanylpyridine);bis(2-(4-fluorobenzene-6-id-1-yl)-4-methylsulfanylpyridine);4-hydroxypent-3-en-2-one;platinum;tetrakis(platinum(2+));pyridine-2-carboxylic acid.

What is the SMILES notation for tetrakis(2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-4-methylsulfanylpyridine);2-(2,4-difluorobenzene-6-id-1-yl)-4-methylsulfanylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)-4-phenoxypyridine;bis(2-(2-fluorobenzene-6-id-1-yl)-4-methylsulfanylpyridine);bis(2-(4-fluorobenzene-6-id-1-yl)-4-methylsulfanylpyridine);4-hydroxypent-3-en-2-one;platinum;tetrakis(platinum(2+));pyridine-2-carboxylic acid?

The canonical SMILES for tetrakis(2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-4-methylsulfanylpyridine);2-(2,4-difluorobenzene-6-id-1-yl)-4-methylsulfanylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)-4-phenoxypyridine;bis(2-(2-fluorobenzene-6-id-1-yl)-4-methylsulfanylpyridine);bis(2-(4-fluorobenzene-6-id-1-yl)-4-methylsulfanylpyridine);4-hydroxypent-3-en-2-one;platinum;tetrakis(platinum(2+));pyridine-2-carboxylic acid is CC(=O)C=C(C)O.CSc1ccnc(-c2[c-]c(C(F)(F)F)cc(C(F)(F)F)c2)c1.CSc1ccnc(-c2[c-]c(C(F)(F)F)cc(C(F)(F)F)c2)c1.CSc1ccnc(-c2[c-]c(C(F)(F)F)cc(C(F)(F)F)c2)c1.CSc1ccnc(-c2[c-]c(C(F)(F)F)cc(C(F)(F)F)c2)c1.CSc1ccnc(-c2[c-]cc(F)cc2)c1.CSc1ccnc(-c2[c-]cc(F)cc2)c1.CSc1ccnc(-c2[c-]cc(F)cc2F)c1.CSc1ccnc(-c2[c-]cccc2F)c1.CSc1ccnc(-c2[c-]cccc2F)c1.Fc1c[c-]c(-c2cc(Oc3ccccc3)ccn2)c(F)c1.O=C(O)c1ccccn1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt].[Pt].

What is the InChIKey of tetrakis(2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-4-methylsulfanylpyridine);2-(2,4-difluorobenzene-6-id-1-yl)-4-methylsulfanylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)-4-phenoxypyridine;bis(2-(2-fluorobenzene-6-id-1-yl)-4-methylsulfanylpyridine);bis(2-(4-fluorobenzene-6-id-1-yl)-4-methylsulfanylpyridine);4-hydroxypent-3-en-2-one;platinum;tetrakis(platinum(2+));pyridine-2-carboxylic acid?

The InChIKey is GMKKEGALJYSDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F2NO.4C14H8F6NS.C12H8F2NS.4C12H9FNS.C6H5NO2.C5H8O2.6Pt/c18-12-6-7-15(16(19)10-12)17-11-14(8-9-20-17)21-13-4-2-1-3-5-13;4*1-22-11-2-3-21-12(7-11)8-4-9(13(15,16)17)6-10(5-8)14(18,19)20;1-16-9-4-5-15-12(7-9)10-3-2-8(13)6-11(10)14;2*1-15-11-6-7-14-12(8-11)9-2-4-10(13)5-3-9;2*1-15-9-6-7-14-12(8-9)10-4-2-3-5-11(10)13;8-6(9)5-3-1-2-4-7-5;1-4(6)3-5(2)7;;;;;;/h1-6,8-11H;4*2-4,6-7H,1H3;2,4-7H,1H3;2*2,4-8H,1H3;2*2-3,5-8H,1H3;1-4H,(H,8,9);3,6H,1-2H3;;;;;;/q10*-1;;;;;4*+2.

What are the key properties of tetrakis(2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-4-methylsulfanylpyridine);2-(2,4-difluorobenzene-6-id-1-yl)-4-methylsulfanylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)-4-phenoxypyridine;bis(2-(2-fluorobenzene-6-id-1-yl)-4-methylsulfanylpyridine);bis(2-(4-fluorobenzene-6-id-1-yl)-4-methylsulfanylpyridine);4-hydroxypent-3-en-2-one;platinum;tetrakis(platinum(2+));pyridine-2-carboxylic acid?

tetrakis(2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-4-methylsulfanylpyridine);2-(2,4-difluorobenzene-6-id-1-yl)-4-methylsulfanylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)-4-phenoxypyridine;bis(2-(2-fluorobenzene-6-id-1-yl)-4-methylsulfanylpyridine);bis(2-(4-fluorobenzene-6-id-1-yl)-4-methylsulfanylpyridine);4-hydroxypent-3-en-2-one;platinum;tetrakis(platinum(2+));pyridine-2-carboxylic acid has a molecular weight of 4130.45 g/mol, XLogP of 44.84, 23 rotatable bonds, 2 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for tetrakis(2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-4-methylsulfanylpyridine);2-(2,4-difluorobenzene-6-id-1-yl)-4-methylsulfanylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)-4-phenoxypyridine;bis(2-(2-fluorobenzene-6-id-1-yl)-4-methylsulfanylpyridine);bis(2-(4-fluorobenzene-6-id-1-yl)-4-methylsulfanylpyridine);4-hydroxypent-3-en-2-one;platinum;tetrakis(platinum(2+));pyridine-2-carboxylic acid is sourced from PubChem (CID 159014963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).