2-(2,4-difluoro-6-methanidylphenyl)-1-methanidylpyridin-1-ium;bis(2,2,3,3,4,4,4-heptafluorobutanoate);2,3,7,8,12,13-hexaethyl-17,18-diethynylporphyrin-22,24-diide;4-hydroxypent-3-en-2-one;iridium(3+);methanidyl-[2-[methanidyl(diphenyl)phosphaniumyl]ethenyl]-diphenylphosphanium;1-methanidyl-2-(2-methanidylphenyl)pyridin-1-ium;1-methanidyl-2-(1-methanidyl-4-phenylpyridin-1-ium-2-yl)-4-phenylpyridin-1-ium;2-(2-methanidylphenyl)pyridine;molecular hydrogen;osmium(4+);bis(2-phenylpyridine);tris(platinum(2+))

C161H146F16IrN11O6OsP2Pt3+4 — CID 162091159

About 2-(2,4-difluoro-6-methanidylphenyl)-1-methanidylpyridin-1-ium;bis(2,2,3,3,4,4,4-heptafluorobutanoate);2,3,7,8,12,13-hexaethyl-17,18-diethynylporphyrin-22,24-diide;4-hydroxypent-3-en-2-one;iridium(3+);methanidyl-[2-[methanidyl(diphenyl)phosphaniumyl]ethenyl]-diphenylphosphanium;1-methanidyl-2-(2-methanidylphenyl)pyridin-1-ium;1-methanidyl-2-(1-methanidyl-4-phenylpyridin-1-ium-2-yl)-4-phenylpyridin-1-ium;2-(2-methanidylphenyl)pyridine;molecular hydrogen;osmium(4+);bis(2-phenylpyridine);tris(platinum(2+))

2-(2,4-difluoro-6-methanidylphenyl)-1-methanidylpyridin-1-ium;bis(2,2,3,3,4,4,4-heptafluorobutanoate);2,3,7,8,12,13-hexaethyl-17,18-diethynylporphyrin-22,24-diide;4-hydroxypent-3-en-2-one;iridium(3+);methanidyl-[2-[methanidyl(diphenyl)phosphaniumyl]ethenyl]-diphenylphosphanium;1-methanidyl-2-(2-methanidylphenyl)pyridin-1-ium;1-methanidyl-2-(1-methanidyl-4-phenylpyridin-1-ium-2-yl)-4-phenylpyridin-1-ium;2-(2-methanidylphenyl)pyridine;molecular hydrogen;osmium(4+);bis(2-phenylpyridine);tris(platinum(2+)) (PubChem CID 162091159) has the molecular formula C161H146F16IrN11O6OsP2Pt3+4 and a molecular weight of 3664.61 g/mol. Its IUPAC name is 2-(2,4-difluoro-6-methanidylphenyl)-1-methanidylpyridin-1-ium;bis(2,2,3,3,4,4,4-heptafluorobutanoate);2,3,7,8,12,13-hexaethyl-17,18-diethynylporphyrin-22,24-diide;4-hydroxypent-3-en-2-one;iridium(3+);methanidyl-[2-[methanidyl(diphenyl)phosphaniumyl]ethenyl]-diphenylphosphanium;1-methanidyl-2-(2-methanidylphenyl)pyridin-1-ium;1-methanidyl-2-(1-methanidyl-4-phenylpyridin-1-ium-2-yl)-4-phenylpyridin-1-ium;2-(2-methanidylphenyl)pyridine;molecular hydrogen;osmium(4+);bis(2-phenylpyridine);tris(platinum(2+)).

Molecular Properties

• Compound Name: 2-(2,4-difluoro-6-methanidylphenyl)-1-methanidylpyridin-1-ium;bis(2,2,3,3,4,4,4-heptafluorobutanoate);2,3,7,8,12,13-hexaethyl-17,18-diethynylporphyrin-22,24-diide;4-hydroxypent-3-en-2-one;iridium(3+);methanidyl-[2-[methanidyl(diphenyl)phosphaniumyl]ethenyl]-diphenylphosphanium;1-methanidyl-2-(2-methanidylphenyl)pyridin-1-ium;1-methanidyl-2-(1-methanidyl-4-phenylpyridin-1-ium-2-yl)-4-phenylpyridin-1-ium;2-(2-methanidylphenyl)pyridine;molecular hydrogen;osmium(4+);bis(2-phenylpyridine);tris(platinum(2+))
• PubChem CID: 162091159
• Molecular Formula: C161H146F16IrN11O6OsP2Pt3+4
• Molecular Weight: 3664.61 g/mol
• Exact Mass: 3664.88
• IUPAC Name: 2-(2,4-difluoro-6-methanidylphenyl)-1-methanidylpyridin-1-ium;bis(2,2,3,3,4,4,4-heptafluorobutanoate);2,3,7,8,12,13-hexaethyl-17,18-diethynylporphyrin-22,24-diide;4-hydroxypent-3-en-2-one;iridium(3+);methanidyl-[2-[methanidyl(diphenyl)phosphaniumyl]ethenyl]-diphenylphosphanium;1-methanidyl-2-(2-methanidylphenyl)pyridin-1-ium;1-methanidyl-2-(1-methanidyl-4-phenylpyridin-1-ium-2-yl)-4-phenylpyridin-1-ium;2-(2-methanidylphenyl)pyridine;molecular hydrogen;osmium(4+);bis(2-phenylpyridine);tris(platinum(2+))
• SMILES: C#Cc1c(C#C)c2cc3nc(cc4[n-]c(cc5nc(cc1[n-]2)C(CC)=C5CC)c(CC)c4CC)C(CC)=C3CC.CC(=O)C=C(C)O.O=C([O-])C(F)(F)C(F)(F)C(F)(F)F.O=C([O-])C(F)(F)C(F)(F)C(F)(F)F.[CH2-][P+](C=C[P+]([CH2-])(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[CH2-][n+]1ccc(-c2ccccc2)cc1-c1cc(-c2ccccc2)cc[n+]1[CH2-].[CH2-]c1cc(F)cc(F)c1-c1cccc[n+]1[CH2-].[CH2-]c1ccccc1-c1cccc[n+]1[CH2-].[CH2-]c1ccccc1-c1ccccn1.[H][H].[H][H].[H][H].[H][H].[Ir+3].[Os+4].[Pt+2].[Pt+2].[Pt+2].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
• InChI: InChI=1S/C36H36N4.C28H26P2.C24H20N2.C13H10F2N.C13H12N.C12H10N.2C11H8N.C5H8O2.2C4HF7O2.Ir.Os.3Pt.4H2/c1-9-21-22(10-2)30-18-32-25(13-5)26(14-6)34(39-32)20-36-28(16-8)27(15-7)35(40-36)19-33-24(12-4)23(11-3)31(38-33)17-29(21)37-30;1-29(25-15-7-3-8-16-25,26-17-9-4-10-18-26)23-24-30(2,27-19-11-5-12-20-27)28-21-13-6-14-22-28;1-25-15-13-21(19-9-5-3-6-10-19)17-23(25)24-18-22(14-16-26(24)2)20-11-7-4-8-12-20;1-9-7-10(14)8-11(15)13(9)12-5-3-4-6-16(12)2;1-11-7-3-4-8-12(11)13-9-5-6-10-14(13)2;1-10-6-2-3-7-11(10)12-8-4-5-9-13-12;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-4(6)3-5(2)7;2*5-2(6,1(12)13)3(7,8)4(9,10)11;;;;;;;;;/h1-2,17-20H,11-16H2,3-8H3;3-24H,1-2H2;3-18H,1-2H2;3-8H,1-2H2;3-10H,1-2H2;2-9H,1H2;2*1-6,8-9H;3,6H,1-2H3;2*(H,12,13);;;;;;4*1H/q-2;;;5*-1;;;;+3;+4;3*+2;;;;/p-2/b29-17-,30-18-,31-17-,32-18-,33-19-,34-20-,35-19-,36-20-
• InChIKey: NLGODIJKNXYSLQ-KKXVKECKSA-L
• XLogP: 35.42
• TPSA: 225.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 25
• Heavy Atoms: 201
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3664.61
LogP ≤ 5	35.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

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'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluoro-6-methanidylphenyl)-1-methanidylpyridin-1-ium;bis(2,2,3,3,4,4,4-heptafluorobutanoate);2,3,7,8,12,13-hexaethyl-17,18-diethynylporphyrin-22,24-diide;4-hydroxypent-3-en-2-one;iridium(3+);methanidyl-[2-[methanidyl(diphenyl)phosphaniumyl]ethenyl]-diphenylphosphanium;1-methanidyl-2-(2-methanidylphenyl)pyridin-1-ium;1-methanidyl-2-(1-methanidyl-4-phenylpyridin-1-ium-2-yl)-4-phenylpyridin-1-ium;2-(2-methanidylphenyl)pyridine;molecular hydrogen;osmium(4+);bis(2-phenylpyridine);tris(platinum(2+))?

The IUPAC name of 2-(2,4-difluoro-6-methanidylphenyl)-1-methanidylpyridin-1-ium;bis(2,2,3,3,4,4,4-heptafluorobutanoate);2,3,7,8,12,13-hexaethyl-17,18-diethynylporphyrin-22,24-diide;4-hydroxypent-3-en-2-one;iridium(3+);methanidyl-[2-[methanidyl(diphenyl)phosphaniumyl]ethenyl]-diphenylphosphanium;1-methanidyl-2-(2-methanidylphenyl)pyridin-1-ium;1-methanidyl-2-(1-methanidyl-4-phenylpyridin-1-ium-2-yl)-4-phenylpyridin-1-ium;2-(2-methanidylphenyl)pyridine;molecular hydrogen;osmium(4+);bis(2-phenylpyridine);tris(platinum(2+)) (CID 162091159) is 2-(2,4-difluoro-6-methanidylphenyl)-1-methanidylpyridin-1-ium;bis(2,2,3,3,4,4,4-heptafluorobutanoate);2,3,7,8,12,13-hexaethyl-17,18-diethynylporphyrin-22,24-diide;4-hydroxypent-3-en-2-one;iridium(3+);methanidyl-[2-[methanidyl(diphenyl)phosphaniumyl]ethenyl]-diphenylphosphanium;1-methanidyl-2-(2-methanidylphenyl)pyridin-1-ium;1-methanidyl-2-(1-methanidyl-4-phenylpyridin-1-ium-2-yl)-4-phenylpyridin-1-ium;2-(2-methanidylphenyl)pyridine;molecular hydrogen;osmium(4+);bis(2-phenylpyridine);tris(platinum(2+)).

What is the SMILES notation for 2-(2,4-difluoro-6-methanidylphenyl)-1-methanidylpyridin-1-ium;bis(2,2,3,3,4,4,4-heptafluorobutanoate);2,3,7,8,12,13-hexaethyl-17,18-diethynylporphyrin-22,24-diide;4-hydroxypent-3-en-2-one;iridium(3+);methanidyl-[2-[methanidyl(diphenyl)phosphaniumyl]ethenyl]-diphenylphosphanium;1-methanidyl-2-(2-methanidylphenyl)pyridin-1-ium;1-methanidyl-2-(1-methanidyl-4-phenylpyridin-1-ium-2-yl)-4-phenylpyridin-1-ium;2-(2-methanidylphenyl)pyridine;molecular hydrogen;osmium(4+);bis(2-phenylpyridine);tris(platinum(2+))?

The canonical SMILES for 2-(2,4-difluoro-6-methanidylphenyl)-1-methanidylpyridin-1-ium;bis(2,2,3,3,4,4,4-heptafluorobutanoate);2,3,7,8,12,13-hexaethyl-17,18-diethynylporphyrin-22,24-diide;4-hydroxypent-3-en-2-one;iridium(3+);methanidyl-[2-[methanidyl(diphenyl)phosphaniumyl]ethenyl]-diphenylphosphanium;1-methanidyl-2-(2-methanidylphenyl)pyridin-1-ium;1-methanidyl-2-(1-methanidyl-4-phenylpyridin-1-ium-2-yl)-4-phenylpyridin-1-ium;2-(2-methanidylphenyl)pyridine;molecular hydrogen;osmium(4+);bis(2-phenylpyridine);tris(platinum(2+)) is C#Cc1c(C#C)c2cc3nc(cc4[n-]c(cc5nc(cc1[n-]2)C(CC)=C5CC)c(CC)c4CC)C(CC)=C3CC.CC(=O)C=C(C)O.O=C([O-])C(F)(F)C(F)(F)C(F)(F)F.O=C([O-])C(F)(F)C(F)(F)C(F)(F)F.[CH2-][P+](C=C[P+]([CH2-])(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[CH2-][n+]1ccc(-c2ccccc2)cc1-c1cc(-c2ccccc2)cc[n+]1[CH2-].[CH2-]c1cc(F)cc(F)c1-c1cccc[n+]1[CH2-].[CH2-]c1ccccc1-c1cccc[n+]1[CH2-].[CH2-]c1ccccc1-c1ccccn1.[H][H].[H][H].[H][H].[H][H].[Ir+3].[Os+4].[Pt+2].[Pt+2].[Pt+2].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.

What is the InChIKey of 2-(2,4-difluoro-6-methanidylphenyl)-1-methanidylpyridin-1-ium;bis(2,2,3,3,4,4,4-heptafluorobutanoate);2,3,7,8,12,13-hexaethyl-17,18-diethynylporphyrin-22,24-diide;4-hydroxypent-3-en-2-one;iridium(3+);methanidyl-[2-[methanidyl(diphenyl)phosphaniumyl]ethenyl]-diphenylphosphanium;1-methanidyl-2-(2-methanidylphenyl)pyridin-1-ium;1-methanidyl-2-(1-methanidyl-4-phenylpyridin-1-ium-2-yl)-4-phenylpyridin-1-ium;2-(2-methanidylphenyl)pyridine;molecular hydrogen;osmium(4+);bis(2-phenylpyridine);tris(platinum(2+))?

The InChIKey is NLGODIJKNXYSLQ-KKXVKECKSA-L. The full InChI is InChI=1S/C36H36N4.C28H26P2.C24H20N2.C13H10F2N.C13H12N.C12H10N.2C11H8N.C5H8O2.2C4HF7O2.Ir.Os.3Pt.4H2/c1-9-21-22(10-2)30-18-32-25(13-5)26(14-6)34(39-32)20-36-28(16-8)27(15-7)35(40-36)19-33-24(12-4)23(11-3)31(38-33)17-29(21)37-30;1-29(25-15-7-3-8-16-25,26-17-9-4-10-18-26)23-24-30(2,27-19-11-5-12-20-27)28-21-13-6-14-22-28;1-25-15-13-21(19-9-5-3-6-10-19)17-23(25)24-18-22(14-16-26(24)2)20-11-7-4-8-12-20;1-9-7-10(14)8-11(15)13(9)12-5-3-4-6-16(12)2;1-11-7-3-4-8-12(11)13-9-5-6-10-14(13)2;1-10-6-2-3-7-11(10)12-8-4-5-9-13-12;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-4(6)3-5(2)7;2*5-2(6,1(12)13)3(7,8)4(9,10)11;;;;;;;;;/h1-2,17-20H,11-16H2,3-8H3;3-24H,1-2H2;3-18H,1-2H2;3-8H,1-2H2;3-10H,1-2H2;2-9H,1H2;2*1-6,8-9H;3,6H,1-2H3;2*(H,12,13);;;;;;4*1H/q-2;;;5*-1;;;;+3;+4;3*+2;;;;/p-2/b29-17-,30-18-,31-17-,32-18-,33-19-,34-20-,35-19-,36-20-;;;;;;;;;;;;;;;;;;;.

What are the key properties of 2-(2,4-difluoro-6-methanidylphenyl)-1-methanidylpyridin-1-ium;bis(2,2,3,3,4,4,4-heptafluorobutanoate);2,3,7,8,12,13-hexaethyl-17,18-diethynylporphyrin-22,24-diide;4-hydroxypent-3-en-2-one;iridium(3+);methanidyl-[2-[methanidyl(diphenyl)phosphaniumyl]ethenyl]-diphenylphosphanium;1-methanidyl-2-(2-methanidylphenyl)pyridin-1-ium;1-methanidyl-2-(1-methanidyl-4-phenylpyridin-1-ium-2-yl)-4-phenylpyridin-1-ium;2-(2-methanidylphenyl)pyridine;molecular hydrogen;osmium(4+);bis(2-phenylpyridine);tris(platinum(2+))?

2-(2,4-difluoro-6-methanidylphenyl)-1-methanidylpyridin-1-ium;bis(2,2,3,3,4,4,4-heptafluorobutanoate);2,3,7,8,12,13-hexaethyl-17,18-diethynylporphyrin-22,24-diide;4-hydroxypent-3-en-2-one;iridium(3+);methanidyl-[2-[methanidyl(diphenyl)phosphaniumyl]ethenyl]-diphenylphosphanium;1-methanidyl-2-(2-methanidylphenyl)pyridin-1-ium;1-methanidyl-2-(1-methanidyl-4-phenylpyridin-1-ium-2-yl)-4-phenylpyridin-1-ium;2-(2-methanidylphenyl)pyridine;molecular hydrogen;osmium(4+);bis(2-phenylpyridine);tris(platinum(2+)) has a molecular weight of 3664.61 g/mol, XLogP of 35.42, 25 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,4-difluoro-6-methanidylphenyl)-1-methanidylpyridin-1-ium;bis(2,2,3,3,4,4,4-heptafluorobutanoate);2,3,7,8,12,13-hexaethyl-17,18-diethynylporphyrin-22,24-diide;4-hydroxypent-3-en-2-one;iridium(3+);methanidyl-[2-[methanidyl(diphenyl)phosphaniumyl]ethenyl]-diphenylphosphanium;1-methanidyl-2-(2-methanidylphenyl)pyridin-1-ium;1-methanidyl-2-(1-methanidyl-4-phenylpyridin-1-ium-2-yl)-4-phenylpyridin-1-ium;2-(2-methanidylphenyl)pyridine;molecular hydrogen;osmium(4+);bis(2-phenylpyridine);tris(platinum(2+)) is sourced from PubChem (CID 162091159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).