4,6-difluoro-5-isocyano-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyridin-2-ide;4-fluoro-5-isocyano-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyridin-2-ide;5-fluoro-6-isocyano-2-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-3H-pyridin-3-ide;5-fluoro-6-methyl-2-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-3H-pyridin-3-ide;4-fluoro-5-(trifluoromethyl)-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyridin-2-ide;pentakis(platinum(2+))

C115H72F24N28Pt5 — CID 157054697

IUPAC4,6-difluoro-5-isocyano-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyridin-2-ide;4-fluoro-5-isocyano-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyridin-2-ide;5-fluoro-6-isocyano-2-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-3H-pyridin-3-ide;5-fluoro-6-methyl-2-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-3H-pyridin-3-ide;4-fluoro-5-(trifluoromethyl)-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyridin-2-ide;pentakis(platinum(2+))
SMILESCC(C)(c1cccc(-c2[c-]ncc(C(F)(F)F)c2F)n1)c1cccc(-n2[c-]cc(C(F)(F)F)n2)n1.Cc1nc(-c2cccc(C(C)(C)c3cccc(-n4[c-]cc(C(F)(F)F)n4)n3)n2)[c-]cc1F.[C-]#[N+]c1c(F)n[c-]c(-c2cccc(C(C)(C)c3cccc(-n4[c-]cc(C(F)(F)F)n4)n3)n2)c1F.[C-]#[N+]c1cn[c-]c(-c2cccc(C(C)(C)c3cccc(-n4[c-]cc(C(F)(F)F)n4)n3)n2)c1F.[C-]#[N+]c1nc(-c2cccc(C(C)(C)c3cccc(-n4[c-]cc(C(F)(F)F)n4)n3)n2)[c-]cc1F.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/C23H14F7N5.C23H13F5N6.2C23H14F4N6.C23H17F4N5.5Pt/c1-21(2,17-7-4-8-19(33-17)35-10-9-18(34-35)23(28,29)30)16-6-3-5-15(32-16)13-11-31-12-14(20(13)24)22(25,26)27;1-22(2,16-8-5-9-18(32-16)34-11-10-17(33-34)23(26,27)28)15-7-4-6-14(31-15)13-12-30-21(25)20(29-3)19(13)24;1-22(2,17-7-4-6-15(30-17)14-12-29-13-16(28-3)21(14)24)18-8-5-9-20(31-18)33-11-10-19(32-33)23(25,26)27;1-22(2,17-7-4-6-15(29-17)16-11-10-14(24)21(28-3)30-16)18-8-5-9-20(31-18)33-13-12-19(32-33)23(25,26)27;1-14-15(24)10-11-17(28-14)16-6-4-7-18(29-16)22(2,3)19-8-5-9-21(30-19)32-13-12-20(31-32)23(25,26)27;;;;;/h3-9,12H,1-2H3;4-10H,1-2H3;4-10,13H,1-2H3;4-10,12H,1-2H3;4-10,12H,1-3H3;;;;;/q5*-2;5*+2
InChIKeyQGVDCIJTPNSBJO-UHFFFAOYSA-N
MW3277.38 g/mol
LogP27.15
Rot. Bonds20

About 4,6-difluoro-5-isocyano-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyridin-2-ide;4-fluoro-5-isocyano-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyridin-2-ide;5-fluoro-6-isocyano-2-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-3H-pyridin-3-ide;5-fluoro-6-methyl-2-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-3H-pyridin-3-ide;4-fluoro-5-(trifluoromethyl)-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyridin-2-ide;pentakis(platinum(2+))

4,6-difluoro-5-isocyano-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyridin-2-ide;4-fluoro-5-isocyano-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyridin-2-ide;5-fluoro-6-isocyano-2-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-3H-pyridin-3-ide;5-fluoro-6-methyl-2-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-3H-pyridin-3-ide;4-fluoro-5-(trifluoromethyl)-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyridin-2-ide;pentakis(platinum(2+)) (PubChem CID 157054697) has the molecular formula C115H72F24N28Pt5 and a molecular weight of 3277.38 g/mol. Its IUPAC name is 4,6-difluoro-5-isocyano-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyridin-2-ide;4-fluoro-5-isocyano-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyridin-2-ide;5-fluoro-6-isocyano-2-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-3H-pyridin-3-ide;5-fluoro-6-methyl-2-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-3H-pyridin-3-ide;4-fluoro-5-(trifluoromethyl)-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyridin-2-ide;pentakis(platinum(2+)).

Molecular Properties

Compound Name4,6-difluoro-5-isocyano-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyridin-2-ide;4-fluoro-5-isocyano-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyridin-2-ide;5-fluoro-6-isocyano-2-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-3H-pyridin-3-ide;5-fluoro-6-methyl-2-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-3H-pyridin-3-ide;4-fluoro-5-(trifluoromethyl)-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyridin-2-ide;pentakis(platinum(2+))
PubChem CID157054697
Molecular FormulaC115H72F24N28Pt5
Molecular Weight3277.38 g/mol
Exact Mass3275.44
IUPAC Name4,6-difluoro-5-isocyano-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyridin-2-ide;4-fluoro-5-isocyano-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyridin-2-ide;5-fluoro-6-isocyano-2-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-3H-pyridin-3-ide;5-fluoro-6-methyl-2-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-3H-pyridin-3-ide;4-fluoro-5-(trifluoromethyl)-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyridin-2-ide;pentakis(platinum(2+))
SMILESCC(C)(c1cccc(-c2[c-]ncc(C(F)(F)F)c2F)n1)c1cccc(-n2[c-]cc(C(F)(F)F)n2)n1.Cc1nc(-c2cccc(C(C)(C)c3cccc(-n4[c-]cc(C(F)(F)F)n4)n3)n2)[c-]cc1F.[C-]#[N+]c1c(F)n[c-]c(-c2cccc(C(C)(C)c3cccc(-n4[c-]cc(C(F)(F)F)n4)n3)n2)c1F.[C-]#[N+]c1cn[c-]c(-c2cccc(C(C)(C)c3cccc(-n4[c-]cc(C(F)(F)F)n4)n3)n2)c1F.[C-]#[N+]c1nc(-c2cccc(C(C)(C)c3cccc(-n4[c-]cc(C(F)(F)F)n4)n3)n2)[c-]cc1F.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/C23H14F7N5.C23H13F5N6.2C23H14F4N6.C23H17F4N5.5Pt/c1-21(2,17-7-4-8-19(33-17)35-10-9-18(34-35)23(28,29)30)16-6-3-5-15(32-16)13-11-31-12-14(20(13)24)22(25,26)27;1-22(2,16-8-5-9-18(32-16)34-11-10-17(33-34)23(26,27)28)15-7-4-6-14(31-15)13-12-30-21(25)20(29-3)19(13)24;1-22(2,17-7-4-6-15(30-17)14-12-29-13-16(28-3)21(14)24)18-8-5-9-20(31-18)33-11-10-19(32-33)23(25,26)27;1-22(2,17-7-4-6-15(29-17)16-11-10-14(24)21(28-3)30-16)18-8-5-9-20(31-18)33-13-12-19(32-33)23(25,26)27;1-14-15(24)10-11-17(28-14)16-6-4-7-18(29-16)22(2,3)19-8-5-9-21(30-19)32-13-12-20(31-32)23(25,26)27;;;;;/h3-9,12H,1-2H3;4-10H,1-2H3;4-10,13H,1-2H3;4-10,12H,1-2H3;4-10,12H,1-3H3;;;;;/q5*-2;5*+2
InChIKeyQGVDCIJTPNSBJO-UHFFFAOYSA-N
XLogP27.15
TPSA295.53 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds20
Heavy Atoms172
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003277.38
LogP ≤ 527.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 4,6-difluoro-5-isocyano-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyridin-2-ide;4-fluoro-5-isocyano-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyridin-2-ide;5-fluoro-6-isocyano-2-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-3H-pyridin-3-ide;5-fluoro-6-methyl-2-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-3H-pyridin-3-ide;4-fluoro-5-(trifluoromethyl)-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyridin-2-ide;pentakis(platinum(2+)) with MolForge

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Launch Full Analysis

Related Compounds

2,6-difluoro-3-[4-fluoro-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;platinum(2+)
CID 57604023
2-(2,4-difluorobenzene-6-id-1-yl)-4-fluoro-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum(2+)
CID 57604032
2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum(2+)
CID 57604039
2,6-difluoro-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;platinum(2+)
CID 57604064
2-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-4-fluoro-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]pyridine;platinum(2+)
CID 57604088
2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum(2+)
CID 57604174
platinum(2+);2-[4-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-6-[2-[6-[4-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine
CID 57621999
4-methyl-2-[2-[4-methyl-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]pyridine;platinum(2+)
CID 57622008
CID 57622198
CID 57622198
CID 57622307
CID 57622307
CID 57622675
CID 57622675
2-[4,5-bis(trifluoromethyl)-3H-pyrazol-3-id-2-yl]-6-[2-[6-[4-fluoro-5-(trifluoromethyl)-3H-pyrazol-3-id-2-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum(2+)
CID 57622729

Frequently Asked Questions

What is the IUPAC name of 4,6-difluoro-5-isocyano-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyridin-2-ide;4-fluoro-5-isocyano-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyridin-2-ide;5-fluoro-6-isocyano-2-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-3H-pyridin-3-ide;5-fluoro-6-methyl-2-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-3H-pyridin-3-ide;4-fluoro-5-(trifluoromethyl)-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyridin-2-ide;pentakis(platinum(2+))?
The IUPAC name of 4,6-difluoro-5-isocyano-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyridin-2-ide;4-fluoro-5-isocyano-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyridin-2-ide;5-fluoro-6-isocyano-2-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-3H-pyridin-3-ide;5-fluoro-6-methyl-2-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-3H-pyridin-3-ide;4-fluoro-5-(trifluoromethyl)-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyridin-2-ide;pentakis(platinum(2+)) (CID 157054697) is 4,6-difluoro-5-isocyano-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyridin-2-ide;4-fluoro-5-isocyano-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyridin-2-ide;5-fluoro-6-isocyano-2-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-3H-pyridin-3-ide;5-fluoro-6-methyl-2-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-3H-pyridin-3-ide;4-fluoro-5-(trifluoromethyl)-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyridin-2-ide;pentakis(platinum(2+)).
What is the SMILES notation for 4,6-difluoro-5-isocyano-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyridin-2-ide;4-fluoro-5-isocyano-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyridin-2-ide;5-fluoro-6-isocyano-2-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-3H-pyridin-3-ide;5-fluoro-6-methyl-2-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-3H-pyridin-3-ide;4-fluoro-5-(trifluoromethyl)-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyridin-2-ide;pentakis(platinum(2+))?
The canonical SMILES for 4,6-difluoro-5-isocyano-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyridin-2-ide;4-fluoro-5-isocyano-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyridin-2-ide;5-fluoro-6-isocyano-2-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-3H-pyridin-3-ide;5-fluoro-6-methyl-2-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-3H-pyridin-3-ide;4-fluoro-5-(trifluoromethyl)-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyridin-2-ide;pentakis(platinum(2+)) is CC(C)(c1cccc(-c2[c-]ncc(C(F)(F)F)c2F)n1)c1cccc(-n2[c-]cc(C(F)(F)F)n2)n1.Cc1nc(-c2cccc(C(C)(C)c3cccc(-n4[c-]cc(C(F)(F)F)n4)n3)n2)[c-]cc1F.[C-]#[N+]c1c(F)n[c-]c(-c2cccc(C(C)(C)c3cccc(-n4[c-]cc(C(F)(F)F)n4)n3)n2)c1F.[C-]#[N+]c1cn[c-]c(-c2cccc(C(C)(C)c3cccc(-n4[c-]cc(C(F)(F)F)n4)n3)n2)c1F.[C-]#[N+]c1nc(-c2cccc(C(C)(C)c3cccc(-n4[c-]cc(C(F)(F)F)n4)n3)n2)[c-]cc1F.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].
What is the InChIKey of 4,6-difluoro-5-isocyano-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyridin-2-ide;4-fluoro-5-isocyano-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyridin-2-ide;5-fluoro-6-isocyano-2-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-3H-pyridin-3-ide;5-fluoro-6-methyl-2-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-3H-pyridin-3-ide;4-fluoro-5-(trifluoromethyl)-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyridin-2-ide;pentakis(platinum(2+))?
The InChIKey is QGVDCIJTPNSBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14F7N5.C23H13F5N6.2C23H14F4N6.C23H17F4N5.5Pt/c1-21(2,17-7-4-8-19(33-17)35-10-9-18(34-35)23(28,29)30)16-6-3-5-15(32-16)13-11-31-12-14(20(13)24)22(25,26)27;1-22(2,16-8-5-9-18(32-16)34-11-10-17(33-34)23(26,27)28)15-7-4-6-14(31-15)13-12-30-21(25)20(29-3)19(13)24;1-22(2,17-7-4-6-15(30-17)14-12-29-13-16(28-3)21(14)24)18-8-5-9-20(31-18)33-11-10-19(32-33)23(25,26)27;1-22(2,17-7-4-6-15(29-17)16-11-10-14(24)21(28-3)30-16)18-8-5-9-20(31-18)33-13-12-19(32-33)23(25,26)27;1-14-15(24)10-11-17(28-14)16-6-4-7-18(29-16)22(2,3)19-8-5-9-21(30-19)32-13-12-20(31-32)23(25,26)27;;;;;/h3-9,12H,1-2H3;4-10H,1-2H3;4-10,13H,1-2H3;4-10,12H,1-2H3;4-10,12H,1-3H3;;;;;/q5*-2;5*+2.
What are the key properties of 4,6-difluoro-5-isocyano-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyridin-2-ide;4-fluoro-5-isocyano-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyridin-2-ide;5-fluoro-6-isocyano-2-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-3H-pyridin-3-ide;5-fluoro-6-methyl-2-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-3H-pyridin-3-ide;4-fluoro-5-(trifluoromethyl)-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyridin-2-ide;pentakis(platinum(2+))?
4,6-difluoro-5-isocyano-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyridin-2-ide;4-fluoro-5-isocyano-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyridin-2-ide;5-fluoro-6-isocyano-2-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-3H-pyridin-3-ide;5-fluoro-6-methyl-2-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-3H-pyridin-3-ide;4-fluoro-5-(trifluoromethyl)-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyridin-2-ide;pentakis(platinum(2+)) has a molecular weight of 3277.38 g/mol, XLogP of 27.15, 20 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-5-isocyano-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyridin-2-ide;4-fluoro-5-isocyano-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyridin-2-ide;5-fluoro-6-isocyano-2-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-3H-pyridin-3-ide;5-fluoro-6-methyl-2-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-3H-pyridin-3-ide;4-fluoro-5-(trifluoromethyl)-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyridin-2-ide;pentakis(platinum(2+)) is sourced from PubChem (CID 157054697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).