6-[(6-carboxy-2-pyridinyl)-[6-(3-cyano-2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]methyl]pyridine-2-carboxylic acid;3-[6-[[6-(3-cyano-2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-bis[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]methyl]-2-pyridinyl]-2,6-difluorobenzene-4-ide-1-carbonitrile;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-N,N-dimethyl-6-[tris[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-4-(dimethylamino)-2-pyridinyl]methyl]pyridin-4-amine;platinum;pentakis(platinum(2+));6-[tris[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]methyl]pyridine-2-carboxylic acid

C183H87F26N30O6Pt8-3 — CID 157214255

About 6-[(6-carboxy-2-pyridinyl)-[6-(3-cyano-2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]methyl]pyridine-2-carboxylic acid;3-[6-[[6-(3-cyano-2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-bis[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]methyl]-2-pyridinyl]-2,6-difluorobenzene-4-ide-1-carbonitrile;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-N,N-dimethyl-6-[tris[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-4-(dimethylamino)-2-pyridinyl]methyl]pyridin-4-amine;platinum;pentakis(platinum(2+));6-[tris[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]methyl]pyridine-2-carboxylic acid

6-[(6-carboxy-2-pyridinyl)-[6-(3-cyano-2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]methyl]pyridine-2-carboxylic acid;3-[6-[[6-(3-cyano-2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-bis[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]methyl]-2-pyridinyl]-2,6-difluorobenzene-4-ide-1-carbonitrile;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-N,N-dimethyl-6-[tris[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-4-(dimethylamino)-2-pyridinyl]methyl]pyridin-4-amine;platinum;pentakis(platinum(2+));6-[tris[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]methyl]pyridine-2-carboxylic acid (PubChem CID 157214255) has the molecular formula C183H87F26N30O6Pt8-3 and a molecular weight of 4856.49 g/mol. Its IUPAC name is 6-[(6-carboxy-2-pyridinyl)-[6-(3-cyano-2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]methyl]pyridine-2-carboxylic acid;3-[6-[[6-(3-cyano-2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-bis[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]methyl]-2-pyridinyl]-2,6-difluorobenzene-4-ide-1-carbonitrile;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-N,N-dimethyl-6-[tris[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-4-(dimethylamino)-2-pyridinyl]methyl]pyridin-4-amine;platinum;pentakis(platinum(2+));6-[tris[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]methyl]pyridine-2-carboxylic acid.

Molecular Properties

• Compound Name: 6-[(6-carboxy-2-pyridinyl)-[6-(3-cyano-2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]methyl]pyridine-2-carboxylic acid;3-[6-[[6-(3-cyano-2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-bis[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]methyl]-2-pyridinyl]-2,6-difluorobenzene-4-ide-1-carbonitrile;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-N,N-dimethyl-6-[tris[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-4-(dimethylamino)-2-pyridinyl]methyl]pyridin-4-amine;platinum;pentakis(platinum(2+));6-[tris[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]methyl]pyridine-2-carboxylic acid
• PubChem CID: 157214255
• Molecular Formula: C183H87F26N30O6Pt8-3
• Molecular Weight: 4856.49 g/mol
• Exact Mass: 4853.42
• IUPAC Name: 6-[(6-carboxy-2-pyridinyl)-[6-(3-cyano-2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]methyl]pyridine-2-carboxylic acid;3-[6-[[6-(3-cyano-2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-bis[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]methyl]-2-pyridinyl]-2,6-difluorobenzene-4-ide-1-carbonitrile;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-N,N-dimethyl-6-[tris[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-4-(dimethylamino)-2-pyridinyl]methyl]pyridin-4-amine;platinum;pentakis(platinum(2+));6-[tris[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]methyl]pyridine-2-carboxylic acid
• SMILES: O=C(O)c1cccc(C(c2cccc(-c3[c-]cc(F)cc3F)n2)(c2cccc(-c3[c-]cc(F)cc3F)n2)c2cccc(-c3[c-]cc(F)cc3F)n2)n1.[C-]#[N+]c1c(F)c[c-]c(-c2cc(N(C)C)cc(C(c3cc(N(C)C)cc(-c4[c-]cc(F)c([N+]#[C-])c4F)n3)(c3cc(N(C)C)cc(-c4[c-]cc(F)c([N+]#[C-])c4F)n3)c3cc(N(C)C)cc(-c4[c-]cc(F)c([N+]#[C-])c4F)n3)n2)c1F.[C-]#[N+]c1c(F)c[c-]c(-c2cccc(C(c3cccc(-c4[c-]cc(F)c(C#N)c4F)n3)(c3cccc(-c4[c-]cc(F)c(C#N)c4F)n3)c3cccc(-c4[c-]cc(F)c([N+]#[C-])c4F)n3)n2)c1F.[C-]#[N+]c1c(F)c[c-]c(-c2cccc(C(c3cccc(C(=O)O)n3)(c3cccc(C(=O)O)n3)c3cccc(-c4[c-]cc(F)c(C#N)c4F)n3)n2)c1F.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt].[Pt].[Pt]
• InChI: InChI=1S/C57H36F8N12.C49H16F8N8.C40H19F6N4O2.C37H16F4N6O4.8Pt/c1-66-53-37(58)17-13-33(49(53)62)41-21-29(74(5)6)25-45(70-41)57(46-26-30(75(7)8)22-42(71-46)34-14-18-38(59)54(67-2)50(34)63,47-27-31(76(9)10)23-43(72-47)35-15-19-39(60)55(68-3)51(35)64)48-28-32(77(11)12)24-44(73-48)36-16-20-40(61)56(69-4)52(36)65;1-60-47-33(52)21-17-27(45(47)56)37-9-5-13-41(64-37)49(39-11-3-7-35(62-39)25-15-19-31(50)29(23-58)43(25)54,40-12-4-8-36(63-40)26-16-20-32(51)30(24-59)44(26)55)42-14-6-10-38(65-42)28-18-22-34(53)48(61-2)46(28)57;41-22-13-16-25(28(44)19-22)31-5-1-9-35(47-31)40(38-12-4-8-34(50-38)39(51)52,36-10-2-6-32(48-36)26-17-14-23(42)20-29(26)45)37-11-3-7-33(49-37)27-18-15-24(43)21-30(27)46;1-43-34-23(39)17-15-20(33(34)41)25-7-3-11-29(45-25)37(30-12-4-8-26(46-30)35(48)49,31-13-5-9-27(47-31)36(50)51)28-10-2-6-24(44-28)19-14-16-22(38)21(18-42)32(19)40;;;;;;;;/h17-28H,5-12H3;3-14,19-22H;1-15,19-21H,(H,51,52);2-13,16-17H,(H,48,49)(H,50,51);;;;;;;;/q2*-4;-3;-2;;;;5*+2
• InChIKey: FQIMOXKXCRZXMT-UHFFFAOYSA-N
• XLogP: 40.10
• TPSA: 432.99 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 26
• Rotatable Bonds: 36
• Heavy Atoms: 253
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4856.49
LogP ≤ 5	40.10
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 6-[(6-carboxy-2-pyridinyl)-[6-(3-cyano-2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]methyl]pyridine-2-carboxylic acid;3-[6-[[6-(3-cyano-2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-bis[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]methyl]-2-pyridinyl]-2,6-difluorobenzene-4-ide-1-carbonitrile;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-N,N-dimethyl-6-[tris[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-4-(dimethylamino)-2-pyridinyl]methyl]pyridin-4-amine;platinum;pentakis(platinum(2+));6-[tris[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]methyl]pyridine-2-carboxylic acid?

The IUPAC name of 6-[(6-carboxy-2-pyridinyl)-[6-(3-cyano-2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]methyl]pyridine-2-carboxylic acid;3-[6-[[6-(3-cyano-2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-bis[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]methyl]-2-pyridinyl]-2,6-difluorobenzene-4-ide-1-carbonitrile;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-N,N-dimethyl-6-[tris[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-4-(dimethylamino)-2-pyridinyl]methyl]pyridin-4-amine;platinum;pentakis(platinum(2+));6-[tris[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]methyl]pyridine-2-carboxylic acid (CID 157214255) is 6-[(6-carboxy-2-pyridinyl)-[6-(3-cyano-2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]methyl]pyridine-2-carboxylic acid;3-[6-[[6-(3-cyano-2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-bis[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]methyl]-2-pyridinyl]-2,6-difluorobenzene-4-ide-1-carbonitrile;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-N,N-dimethyl-6-[tris[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-4-(dimethylamino)-2-pyridinyl]methyl]pyridin-4-amine;platinum;pentakis(platinum(2+));6-[tris[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]methyl]pyridine-2-carboxylic acid.

What is the SMILES notation for 6-[(6-carboxy-2-pyridinyl)-[6-(3-cyano-2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]methyl]pyridine-2-carboxylic acid;3-[6-[[6-(3-cyano-2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-bis[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]methyl]-2-pyridinyl]-2,6-difluorobenzene-4-ide-1-carbonitrile;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-N,N-dimethyl-6-[tris[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-4-(dimethylamino)-2-pyridinyl]methyl]pyridin-4-amine;platinum;pentakis(platinum(2+));6-[tris[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]methyl]pyridine-2-carboxylic acid?

The canonical SMILES for 6-[(6-carboxy-2-pyridinyl)-[6-(3-cyano-2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]methyl]pyridine-2-carboxylic acid;3-[6-[[6-(3-cyano-2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-bis[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]methyl]-2-pyridinyl]-2,6-difluorobenzene-4-ide-1-carbonitrile;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-N,N-dimethyl-6-[tris[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-4-(dimethylamino)-2-pyridinyl]methyl]pyridin-4-amine;platinum;pentakis(platinum(2+));6-[tris[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]methyl]pyridine-2-carboxylic acid is O=C(O)c1cccc(C(c2cccc(-c3[c-]cc(F)cc3F)n2)(c2cccc(-c3[c-]cc(F)cc3F)n2)c2cccc(-c3[c-]cc(F)cc3F)n2)n1.[C-]#[N+]c1c(F)c[c-]c(-c2cc(N(C)C)cc(C(c3cc(N(C)C)cc(-c4[c-]cc(F)c([N+]#[C-])c4F)n3)(c3cc(N(C)C)cc(-c4[c-]cc(F)c([N+]#[C-])c4F)n3)c3cc(N(C)C)cc(-c4[c-]cc(F)c([N+]#[C-])c4F)n3)n2)c1F.[C-]#[N+]c1c(F)c[c-]c(-c2cccc(C(c3cccc(-c4[c-]cc(F)c(C#N)c4F)n3)(c3cccc(-c4[c-]cc(F)c(C#N)c4F)n3)c3cccc(-c4[c-]cc(F)c([N+]#[C-])c4F)n3)n2)c1F.[C-]#[N+]c1c(F)c[c-]c(-c2cccc(C(c3cccc(C(=O)O)n3)(c3cccc(C(=O)O)n3)c3cccc(-c4[c-]cc(F)c(C#N)c4F)n3)n2)c1F.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt].[Pt].[Pt].

What is the InChIKey of 6-[(6-carboxy-2-pyridinyl)-[6-(3-cyano-2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]methyl]pyridine-2-carboxylic acid;3-[6-[[6-(3-cyano-2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-bis[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]methyl]-2-pyridinyl]-2,6-difluorobenzene-4-ide-1-carbonitrile;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-N,N-dimethyl-6-[tris[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-4-(dimethylamino)-2-pyridinyl]methyl]pyridin-4-amine;platinum;pentakis(platinum(2+));6-[tris[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]methyl]pyridine-2-carboxylic acid?

The InChIKey is FQIMOXKXCRZXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H36F8N12.C49H16F8N8.C40H19F6N4O2.C37H16F4N6O4.8Pt/c1-66-53-37(58)17-13-33(49(53)62)41-21-29(74(5)6)25-45(70-41)57(46-26-30(75(7)8)22-42(71-46)34-14-18-38(59)54(67-2)50(34)63,47-27-31(76(9)10)23-43(72-47)35-15-19-39(60)55(68-3)51(35)64)48-28-32(77(11)12)24-44(73-48)36-16-20-40(61)56(69-4)52(36)65;1-60-47-33(52)21-17-27(45(47)56)37-9-5-13-41(64-37)49(39-11-3-7-35(62-39)25-15-19-31(50)29(23-58)43(25)54,40-12-4-8-36(63-40)26-16-20-32(51)30(24-59)44(26)55)42-14-6-10-38(65-42)28-18-22-34(53)48(61-2)46(28)57;41-22-13-16-25(28(44)19-22)31-5-1-9-35(47-31)40(38-12-4-8-34(50-38)39(51)52,36-10-2-6-32(48-36)26-17-14-23(42)20-29(26)45)37-11-3-7-33(49-37)27-18-15-24(43)21-30(27)46;1-43-34-23(39)17-15-20(33(34)41)25-7-3-11-29(45-25)37(30-12-4-8-26(46-30)35(48)49,31-13-5-9-27(47-31)36(50)51)28-10-2-6-24(44-28)19-14-16-22(38)21(18-42)32(19)40;;;;;;;;/h17-28H,5-12H3;3-14,19-22H;1-15,19-21H,(H,51,52);2-13,16-17H,(H,48,49)(H,50,51);;;;;;;;/q2*-4;-3;-2;;;;5*+2.

What are the key properties of 6-[(6-carboxy-2-pyridinyl)-[6-(3-cyano-2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]methyl]pyridine-2-carboxylic acid;3-[6-[[6-(3-cyano-2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-bis[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]methyl]-2-pyridinyl]-2,6-difluorobenzene-4-ide-1-carbonitrile;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-N,N-dimethyl-6-[tris[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-4-(dimethylamino)-2-pyridinyl]methyl]pyridin-4-amine;platinum;pentakis(platinum(2+));6-[tris[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]methyl]pyridine-2-carboxylic acid?

6-[(6-carboxy-2-pyridinyl)-[6-(3-cyano-2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]methyl]pyridine-2-carboxylic acid;3-[6-[[6-(3-cyano-2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-bis[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]methyl]-2-pyridinyl]-2,6-difluorobenzene-4-ide-1-carbonitrile;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-N,N-dimethyl-6-[tris[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-4-(dimethylamino)-2-pyridinyl]methyl]pyridin-4-amine;platinum;pentakis(platinum(2+));6-[tris[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]methyl]pyridine-2-carboxylic acid has a molecular weight of 4856.49 g/mol, XLogP of 40.10, 36 rotatable bonds, 3 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(6-carboxy-2-pyridinyl)-[6-(3-cyano-2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]methyl]pyridine-2-carboxylic acid;3-[6-[[6-(3-cyano-2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-bis[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]methyl]-2-pyridinyl]-2,6-difluorobenzene-4-ide-1-carbonitrile;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-N,N-dimethyl-6-[tris[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-4-(dimethylamino)-2-pyridinyl]methyl]pyridin-4-amine;platinum;pentakis(platinum(2+));6-[tris[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 157214255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).