2-[2,4-difluoro-5-phenyl-3-(trifluoromethyl)benzene-6-id-1-yl]-6-(phosphinin-1-ium-2-ylmethyl)pyridine;2-[5-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-6-[3-(2-pyridin-2-ylpropan-2-yl)phenyl]pyridine;2-[2-[6-[3-(3-ethylpentan-3-yl)-5-phenylbenzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-1,3-benzothiazole;N-[[2-[3-isothiocyanato-5-(1-methyl-3H-indol-3-id-2-yl)benzene-6-id-1-yl]-1-methylbenzimidazol-4-yl]methyl]cyclohexanimine;tetrakis(platinum(2+))

C122H93F15N10PPt4S2+ — CID 159739287

About 2-[2,4-difluoro-5-phenyl-3-(trifluoromethyl)benzene-6-id-1-yl]-6-(phosphinin-1-ium-2-ylmethyl)pyridine;2-[5-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-6-[3-(2-pyridin-2-ylpropan-2-yl)phenyl]pyridine;2-[2-[6-[3-(3-ethylpentan-3-yl)-5-phenylbenzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-1,3-benzothiazole;N-[[2-[3-isothiocyanato-5-(1-methyl-3H-indol-3-id-2-yl)benzene-6-id-1-yl]-1-methylbenzimidazol-4-yl]methyl]cyclohexanimine;tetrakis(platinum(2+))

2-[2,4-difluoro-5-phenyl-3-(trifluoromethyl)benzene-6-id-1-yl]-6-(phosphinin-1-ium-2-ylmethyl)pyridine;2-[5-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-6-[3-(2-pyridin-2-ylpropan-2-yl)phenyl]pyridine;2-[2-[6-[3-(3-ethylpentan-3-yl)-5-phenylbenzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-1,3-benzothiazole;N-[[2-[3-isothiocyanato-5-(1-methyl-3H-indol-3-id-2-yl)benzene-6-id-1-yl]-1-methylbenzimidazol-4-yl]methyl]cyclohexanimine;tetrakis(platinum(2+)) (PubChem CID 159739287) has the molecular formula C122H93F15N10PPt4S2+ and a molecular weight of 2859.55 g/mol. Its IUPAC name is 2-[2,4-difluoro-5-phenyl-3-(trifluoromethyl)benzene-6-id-1-yl]-6-(phosphinin-1-ium-2-ylmethyl)pyridine;2-[5-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-6-[3-(2-pyridin-2-ylpropan-2-yl)phenyl]pyridine;2-[2-[6-[3-(3-ethylpentan-3-yl)-5-phenylbenzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-1,3-benzothiazole;N-[[2-[3-isothiocyanato-5-(1-methyl-3H-indol-3-id-2-yl)benzene-6-id-1-yl]-1-methylbenzimidazol-4-yl]methyl]cyclohexanimine;tetrakis(platinum(2+)).

Molecular Properties

• Compound Name: 2-[2,4-difluoro-5-phenyl-3-(trifluoromethyl)benzene-6-id-1-yl]-6-(phosphinin-1-ium-2-ylmethyl)pyridine;2-[5-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-6-[3-(2-pyridin-2-ylpropan-2-yl)phenyl]pyridine;2-[2-[6-[3-(3-ethylpentan-3-yl)-5-phenylbenzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-1,3-benzothiazole;N-[[2-[3-isothiocyanato-5-(1-methyl-3H-indol-3-id-2-yl)benzene-6-id-1-yl]-1-methylbenzimidazol-4-yl]methyl]cyclohexanimine;tetrakis(platinum(2+))
• PubChem CID: 159739287
• Molecular Formula: C122H93F15N10PPt4S2+
• Molecular Weight: 2859.55 g/mol
• Exact Mass: 2857.51
• IUPAC Name: 2-[2,4-difluoro-5-phenyl-3-(trifluoromethyl)benzene-6-id-1-yl]-6-(phosphinin-1-ium-2-ylmethyl)pyridine;2-[5-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-6-[3-(2-pyridin-2-ylpropan-2-yl)phenyl]pyridine;2-[2-[6-[3-(3-ethylpentan-3-yl)-5-phenylbenzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-1,3-benzothiazole;N-[[2-[3-isothiocyanato-5-(1-methyl-3H-indol-3-id-2-yl)benzene-6-id-1-yl]-1-methylbenzimidazol-4-yl]methyl]cyclohexanimine;tetrakis(platinum(2+))
• SMILES: CC(C)(c1cccc(-c2cccc(-c3[c-]c(-c4[c-]cc(F)c(C(F)(F)F)c4F)c(F)c(C(F)(F)F)c3F)n2)c1)c1ccccn1.CCC(CC)(CC)c1cc(-c2[c-]cccc2)[c-]c(-c2cccc(C(C)(C)c3nc4ccccc4s3)n2)c1.Cn1c(-c2[c-]c(-c3nc4c(CN=C5CCCCC5)cccc4n3C)cc(N=C=S)c2)[c-]c2ccccc21.Fc1c(-c2[c-]cccc2)[c-]c(-c2cccc(Cc3cccc[pH+]3)n2)c(F)c1C(F)(F)F.[Pt+2].[Pt+2].[Pt+2].[Pt+2]
• InChI: InChI=1S/C34H34N2S.C33H18F10N2.C31H27N5S.C24H13F5NP.4Pt/c1-6-34(7-2,8-3)27-22-25(24-15-10-9-11-16-24)21-26(23-27)28-18-14-20-31(35-28)33(4,5)32-36-29-17-12-13-19-30(29)37-32;1-31(2,25-11-3-4-14-44-25)18-8-5-7-17(15-18)23-9-6-10-24(45-23)21-16-20(29(36)27(30(21)37)33(41,42)43)19-12-13-22(34)26(28(19)35)32(38,39)40;1-35-27-13-7-6-9-21(27)18-29(35)23-15-24(17-26(16-23)33-20-37)31-34-30-22(10-8-14-28(30)36(31)2)19-32-25-11-4-3-5-12-25;25-22-18(15-7-2-1-3-8-15)14-19(23(26)21(22)24(27,28)29)20-11-6-9-16(30-20)13-17-10-4-5-12-31-17;;;;/h9-15,17-20,22-23H,6-8H2,1-5H3;3-11,13-15H,1-2H3;6-10,13-14,16-17H,3-5,11-12,19H2,1-2H3;1-7,9-12H,13H2;;;;/q4*-2;4*+2/p+1
• InChIKey: DDIZCJLCKRTESW-UHFFFAOYSA-O
• XLogP: 34.26
• TPSA: 111.92 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 22
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2859.55
LogP ≤ 5	34.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2,4-difluoro-5-phenyl-3-(trifluoromethyl)benzene-6-id-1-yl]-6-(phosphinin-1-ium-2-ylmethyl)pyridine;2-[5-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-6-[3-(2-pyridin-2-ylpropan-2-yl)phenyl]pyridine;2-[2-[6-[3-(3-ethylpentan-3-yl)-5-phenylbenzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-1,3-benzothiazole;N-[[2-[3-isothiocyanato-5-(1-methyl-3H-indol-3-id-2-yl)benzene-6-id-1-yl]-1-methylbenzimidazol-4-yl]methyl]cyclohexanimine;tetrakis(platinum(2+))?

The IUPAC name of 2-[2,4-difluoro-5-phenyl-3-(trifluoromethyl)benzene-6-id-1-yl]-6-(phosphinin-1-ium-2-ylmethyl)pyridine;2-[5-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-6-[3-(2-pyridin-2-ylpropan-2-yl)phenyl]pyridine;2-[2-[6-[3-(3-ethylpentan-3-yl)-5-phenylbenzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-1,3-benzothiazole;N-[[2-[3-isothiocyanato-5-(1-methyl-3H-indol-3-id-2-yl)benzene-6-id-1-yl]-1-methylbenzimidazol-4-yl]methyl]cyclohexanimine;tetrakis(platinum(2+)) (CID 159739287) is 2-[2,4-difluoro-5-phenyl-3-(trifluoromethyl)benzene-6-id-1-yl]-6-(phosphinin-1-ium-2-ylmethyl)pyridine;2-[5-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-6-[3-(2-pyridin-2-ylpropan-2-yl)phenyl]pyridine;2-[2-[6-[3-(3-ethylpentan-3-yl)-5-phenylbenzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-1,3-benzothiazole;N-[[2-[3-isothiocyanato-5-(1-methyl-3H-indol-3-id-2-yl)benzene-6-id-1-yl]-1-methylbenzimidazol-4-yl]methyl]cyclohexanimine;tetrakis(platinum(2+)).

What is the SMILES notation for 2-[2,4-difluoro-5-phenyl-3-(trifluoromethyl)benzene-6-id-1-yl]-6-(phosphinin-1-ium-2-ylmethyl)pyridine;2-[5-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-6-[3-(2-pyridin-2-ylpropan-2-yl)phenyl]pyridine;2-[2-[6-[3-(3-ethylpentan-3-yl)-5-phenylbenzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-1,3-benzothiazole;N-[[2-[3-isothiocyanato-5-(1-methyl-3H-indol-3-id-2-yl)benzene-6-id-1-yl]-1-methylbenzimidazol-4-yl]methyl]cyclohexanimine;tetrakis(platinum(2+))?

The canonical SMILES for 2-[2,4-difluoro-5-phenyl-3-(trifluoromethyl)benzene-6-id-1-yl]-6-(phosphinin-1-ium-2-ylmethyl)pyridine;2-[5-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-6-[3-(2-pyridin-2-ylpropan-2-yl)phenyl]pyridine;2-[2-[6-[3-(3-ethylpentan-3-yl)-5-phenylbenzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-1,3-benzothiazole;N-[[2-[3-isothiocyanato-5-(1-methyl-3H-indol-3-id-2-yl)benzene-6-id-1-yl]-1-methylbenzimidazol-4-yl]methyl]cyclohexanimine;tetrakis(platinum(2+)) is CC(C)(c1cccc(-c2cccc(-c3[c-]c(-c4[c-]cc(F)c(C(F)(F)F)c4F)c(F)c(C(F)(F)F)c3F)n2)c1)c1ccccn1.CCC(CC)(CC)c1cc(-c2[c-]cccc2)[c-]c(-c2cccc(C(C)(C)c3nc4ccccc4s3)n2)c1.Cn1c(-c2[c-]c(-c3nc4c(CN=C5CCCCC5)cccc4n3C)cc(N=C=S)c2)[c-]c2ccccc21.Fc1c(-c2[c-]cccc2)[c-]c(-c2cccc(Cc3cccc[pH+]3)n2)c(F)c1C(F)(F)F.[Pt+2].[Pt+2].[Pt+2].[Pt+2].

What is the InChIKey of 2-[2,4-difluoro-5-phenyl-3-(trifluoromethyl)benzene-6-id-1-yl]-6-(phosphinin-1-ium-2-ylmethyl)pyridine;2-[5-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-6-[3-(2-pyridin-2-ylpropan-2-yl)phenyl]pyridine;2-[2-[6-[3-(3-ethylpentan-3-yl)-5-phenylbenzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-1,3-benzothiazole;N-[[2-[3-isothiocyanato-5-(1-methyl-3H-indol-3-id-2-yl)benzene-6-id-1-yl]-1-methylbenzimidazol-4-yl]methyl]cyclohexanimine;tetrakis(platinum(2+))?

The InChIKey is DDIZCJLCKRTESW-UHFFFAOYSA-O. The full InChI is InChI=1S/C34H34N2S.C33H18F10N2.C31H27N5S.C24H13F5NP.4Pt/c1-6-34(7-2,8-3)27-22-25(24-15-10-9-11-16-24)21-26(23-27)28-18-14-20-31(35-28)33(4,5)32-36-29-17-12-13-19-30(29)37-32;1-31(2,25-11-3-4-14-44-25)18-8-5-7-17(15-18)23-9-6-10-24(45-23)21-16-20(29(36)27(30(21)37)33(41,42)43)19-12-13-22(34)26(28(19)35)32(38,39)40;1-35-27-13-7-6-9-21(27)18-29(35)23-15-24(17-26(16-23)33-20-37)31-34-30-22(10-8-14-28(30)36(31)2)19-32-25-11-4-3-5-12-25;25-22-18(15-7-2-1-3-8-15)14-19(23(26)21(22)24(27,28)29)20-11-6-9-16(30-20)13-17-10-4-5-12-31-17;;;;/h9-15,17-20,22-23H,6-8H2,1-5H3;3-11,13-15H,1-2H3;6-10,13-14,16-17H,3-5,11-12,19H2,1-2H3;1-7,9-12H,13H2;;;;/q4*-2;4*+2/p+1.

What are the key properties of 2-[2,4-difluoro-5-phenyl-3-(trifluoromethyl)benzene-6-id-1-yl]-6-(phosphinin-1-ium-2-ylmethyl)pyridine;2-[5-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-6-[3-(2-pyridin-2-ylpropan-2-yl)phenyl]pyridine;2-[2-[6-[3-(3-ethylpentan-3-yl)-5-phenylbenzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-1,3-benzothiazole;N-[[2-[3-isothiocyanato-5-(1-methyl-3H-indol-3-id-2-yl)benzene-6-id-1-yl]-1-methylbenzimidazol-4-yl]methyl]cyclohexanimine;tetrakis(platinum(2+))?

2-[2,4-difluoro-5-phenyl-3-(trifluoromethyl)benzene-6-id-1-yl]-6-(phosphinin-1-ium-2-ylmethyl)pyridine;2-[5-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-6-[3-(2-pyridin-2-ylpropan-2-yl)phenyl]pyridine;2-[2-[6-[3-(3-ethylpentan-3-yl)-5-phenylbenzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-1,3-benzothiazole;N-[[2-[3-isothiocyanato-5-(1-methyl-3H-indol-3-id-2-yl)benzene-6-id-1-yl]-1-methylbenzimidazol-4-yl]methyl]cyclohexanimine;tetrakis(platinum(2+)) has a molecular weight of 2859.55 g/mol, XLogP of 34.26, 22 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2,4-difluoro-5-phenyl-3-(trifluoromethyl)benzene-6-id-1-yl]-6-(phosphinin-1-ium-2-ylmethyl)pyridine;2-[5-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-6-[3-(2-pyridin-2-ylpropan-2-yl)phenyl]pyridine;2-[2-[6-[3-(3-ethylpentan-3-yl)-5-phenylbenzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-1,3-benzothiazole;N-[[2-[3-isothiocyanato-5-(1-methyl-3H-indol-3-id-2-yl)benzene-6-id-1-yl]-1-methylbenzimidazol-4-yl]methyl]cyclohexanimine;tetrakis(platinum(2+)) is sourced from PubChem (CID 159739287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).