3-[6-[1-[6-(6-bromo-2-fluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]cyclohexyl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;3-[6-[1-[6-(6-chloro-2-fluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]-4,4-dimethylcyclohexyl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;3-[6-[1-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]-4,4-dimethylcyclohexyl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;3-[6-[1-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]silinan-1-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;tetrakis(platinum(2+))

C107H80BrClF14N16Pt4Si — CID 159620341

IUPAC3-[6-[1-[6-(6-bromo-2-fluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]cyclohexyl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;3-[6-[1-[6-(6-chloro-2-fluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]-4,4-dimethylcyclohexyl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;3-[6-[1-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]-4,4-dimethylcyclohexyl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;3-[6-[1-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]silinan-1-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;tetrakis(platinum(2+))
SMILESCC1(C)CCC(c2cccc(-c3[c-]cc(F)nc3F)n2)(c2cccc(-c3[c-]cc(Cl)nc3F)n2)CC1.CC1(C)CCC(c2cccc(-c3[c-]cc(F)nc3F)n2)(c2cccc(-c3[c-]cc(F)nc3F)n2)CC1.Fc1c[c-]c(-c2cccc(C3(c4cccc(-c5[c-]cc(Br)nc5F)n4)CCCCC3)n2)c(F)n1.Fc1c[c-]c(-c2cccc([Si]3(c4cccc(-c5[c-]cc(F)nc5F)n4)CCCCC3)n2)c(F)n1.[Pt+2].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/C28H22ClF3N4.C28H22F4N4.C26H18BrF3N4.C25H18F4N4Si.4Pt/c2*1-27(2)13-15-28(16-14-27,21-7-3-5-19(33-21)17-9-11-23(29)35-25(17)31)22-8-4-6-20(34-22)18-10-12-24(30)36-26(18)32;27-22-12-10-16(24(29)33-22)18-6-4-8-20(31-18)26(14-2-1-3-15-26)21-9-5-7-19(32-21)17-11-13-23(28)34-25(17)30;26-20-12-10-16(24(28)32-20)18-6-4-8-22(30-18)34(14-2-1-3-15-34)23-9-5-7-19(31-23)17-11-13-21(27)33-25(17)29;;;;/h2*3-8,11-12H,13-16H2,1-2H3;2*4-9,12-13H,1-3,14-15H2;;;;/q4*-2;4*+2
InChIKeyYOOMIDLTRBHREM-UHFFFAOYSA-N
MW2779.66 g/mol
LogP24.93
Rot. Bonds16

About 3-[6-[1-[6-(6-bromo-2-fluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]cyclohexyl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;3-[6-[1-[6-(6-chloro-2-fluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]-4,4-dimethylcyclohexyl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;3-[6-[1-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]-4,4-dimethylcyclohexyl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;3-[6-[1-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]silinan-1-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;tetrakis(platinum(2+))

3-[6-[1-[6-(6-bromo-2-fluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]cyclohexyl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;3-[6-[1-[6-(6-chloro-2-fluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]-4,4-dimethylcyclohexyl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;3-[6-[1-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]-4,4-dimethylcyclohexyl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;3-[6-[1-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]silinan-1-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;tetrakis(platinum(2+)) (PubChem CID 159620341) has the molecular formula C107H80BrClF14N16Pt4Si and a molecular weight of 2779.66 g/mol. Its IUPAC name is 3-[6-[1-[6-(6-bromo-2-fluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]cyclohexyl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;3-[6-[1-[6-(6-chloro-2-fluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]-4,4-dimethylcyclohexyl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;3-[6-[1-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]-4,4-dimethylcyclohexyl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;3-[6-[1-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]silinan-1-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;tetrakis(platinum(2+)).

Molecular Properties

Compound Name3-[6-[1-[6-(6-bromo-2-fluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]cyclohexyl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;3-[6-[1-[6-(6-chloro-2-fluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]-4,4-dimethylcyclohexyl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;3-[6-[1-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]-4,4-dimethylcyclohexyl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;3-[6-[1-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]silinan-1-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;tetrakis(platinum(2+))
PubChem CID159620341
Molecular FormulaC107H80BrClF14N16Pt4Si
Molecular Weight2779.66 g/mol
Exact Mass2776.38
IUPAC Name3-[6-[1-[6-(6-bromo-2-fluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]cyclohexyl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;3-[6-[1-[6-(6-chloro-2-fluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]-4,4-dimethylcyclohexyl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;3-[6-[1-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]-4,4-dimethylcyclohexyl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;3-[6-[1-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]silinan-1-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;tetrakis(platinum(2+))
SMILESCC1(C)CCC(c2cccc(-c3[c-]cc(F)nc3F)n2)(c2cccc(-c3[c-]cc(Cl)nc3F)n2)CC1.CC1(C)CCC(c2cccc(-c3[c-]cc(F)nc3F)n2)(c2cccc(-c3[c-]cc(F)nc3F)n2)CC1.Fc1c[c-]c(-c2cccc(C3(c4cccc(-c5[c-]cc(Br)nc5F)n4)CCCCC3)n2)c(F)n1.Fc1c[c-]c(-c2cccc([Si]3(c4cccc(-c5[c-]cc(F)nc5F)n4)CCCCC3)n2)c(F)n1.[Pt+2].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/C28H22ClF3N4.C28H22F4N4.C26H18BrF3N4.C25H18F4N4Si.4Pt/c2*1-27(2)13-15-28(16-14-27,21-7-3-5-19(33-21)17-9-11-23(29)35-25(17)31)22-8-4-6-20(34-22)18-10-12-24(30)36-26(18)32;27-22-12-10-16(24(29)33-22)18-6-4-8-20(31-18)26(14-2-1-3-15-26)21-9-5-7-19(32-21)17-11-13-23(28)34-25(17)30;26-20-12-10-16(24(28)32-20)18-6-4-8-22(30-18)34(14-2-1-3-15-34)23-9-5-7-19(31-23)17-11-13-21(27)33-25(17)29;;;;/h2*3-8,11-12H,13-16H2,1-2H3;2*4-9,12-13H,1-3,14-15H2;;;;/q4*-2;4*+2
InChIKeyYOOMIDLTRBHREM-UHFFFAOYSA-N
XLogP24.93
TPSA206.24 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds16
Heavy Atoms144
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002779.66
LogP ≤ 524.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 3-[6-[1-[6-(6-bromo-2-fluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]cyclohexyl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;3-[6-[1-[6-(6-chloro-2-fluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]-4,4-dimethylcyclohexyl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;3-[6-[1-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]-4,4-dimethylcyclohexyl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;3-[6-[1-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]silinan-1-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;tetrakis(platinum(2+)) with MolForge

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Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[6-[1-[6-(6-bromo-2-fluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]cyclohexyl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;3-[6-[1-[6-(6-chloro-2-fluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]-4,4-dimethylcyclohexyl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;3-[6-[1-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]-4,4-dimethylcyclohexyl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;3-[6-[1-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]silinan-1-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;tetrakis(platinum(2+))?
The IUPAC name of 3-[6-[1-[6-(6-bromo-2-fluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]cyclohexyl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;3-[6-[1-[6-(6-chloro-2-fluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]-4,4-dimethylcyclohexyl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;3-[6-[1-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]-4,4-dimethylcyclohexyl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;3-[6-[1-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]silinan-1-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;tetrakis(platinum(2+)) (CID 159620341) is 3-[6-[1-[6-(6-bromo-2-fluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]cyclohexyl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;3-[6-[1-[6-(6-chloro-2-fluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]-4,4-dimethylcyclohexyl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;3-[6-[1-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]-4,4-dimethylcyclohexyl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;3-[6-[1-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]silinan-1-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;tetrakis(platinum(2+)).
What is the SMILES notation for 3-[6-[1-[6-(6-bromo-2-fluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]cyclohexyl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;3-[6-[1-[6-(6-chloro-2-fluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]-4,4-dimethylcyclohexyl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;3-[6-[1-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]-4,4-dimethylcyclohexyl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;3-[6-[1-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]silinan-1-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;tetrakis(platinum(2+))?
The canonical SMILES for 3-[6-[1-[6-(6-bromo-2-fluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]cyclohexyl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;3-[6-[1-[6-(6-chloro-2-fluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]-4,4-dimethylcyclohexyl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;3-[6-[1-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]-4,4-dimethylcyclohexyl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;3-[6-[1-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]silinan-1-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;tetrakis(platinum(2+)) is CC1(C)CCC(c2cccc(-c3[c-]cc(F)nc3F)n2)(c2cccc(-c3[c-]cc(Cl)nc3F)n2)CC1.CC1(C)CCC(c2cccc(-c3[c-]cc(F)nc3F)n2)(c2cccc(-c3[c-]cc(F)nc3F)n2)CC1.Fc1c[c-]c(-c2cccc(C3(c4cccc(-c5[c-]cc(Br)nc5F)n4)CCCCC3)n2)c(F)n1.Fc1c[c-]c(-c2cccc([Si]3(c4cccc(-c5[c-]cc(F)nc5F)n4)CCCCC3)n2)c(F)n1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].
What is the InChIKey of 3-[6-[1-[6-(6-bromo-2-fluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]cyclohexyl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;3-[6-[1-[6-(6-chloro-2-fluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]-4,4-dimethylcyclohexyl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;3-[6-[1-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]-4,4-dimethylcyclohexyl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;3-[6-[1-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]silinan-1-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;tetrakis(platinum(2+))?
The InChIKey is YOOMIDLTRBHREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22ClF3N4.C28H22F4N4.C26H18BrF3N4.C25H18F4N4Si.4Pt/c2*1-27(2)13-15-28(16-14-27,21-7-3-5-19(33-21)17-9-11-23(29)35-25(17)31)22-8-4-6-20(34-22)18-10-12-24(30)36-26(18)32;27-22-12-10-16(24(29)33-22)18-6-4-8-20(31-18)26(14-2-1-3-15-26)21-9-5-7-19(32-21)17-11-13-23(28)34-25(17)30;26-20-12-10-16(24(28)32-20)18-6-4-8-22(30-18)34(14-2-1-3-15-34)23-9-5-7-19(31-23)17-11-13-21(27)33-25(17)29;;;;/h2*3-8,11-12H,13-16H2,1-2H3;2*4-9,12-13H,1-3,14-15H2;;;;/q4*-2;4*+2.
What are the key properties of 3-[6-[1-[6-(6-bromo-2-fluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]cyclohexyl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;3-[6-[1-[6-(6-chloro-2-fluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]-4,4-dimethylcyclohexyl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;3-[6-[1-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]-4,4-dimethylcyclohexyl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;3-[6-[1-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]silinan-1-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;tetrakis(platinum(2+))?
3-[6-[1-[6-(6-bromo-2-fluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]cyclohexyl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;3-[6-[1-[6-(6-chloro-2-fluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]-4,4-dimethylcyclohexyl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;3-[6-[1-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]-4,4-dimethylcyclohexyl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;3-[6-[1-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]silinan-1-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;tetrakis(platinum(2+)) has a molecular weight of 2779.66 g/mol, XLogP of 24.93, 16 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[1-[6-(6-bromo-2-fluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]cyclohexyl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;3-[6-[1-[6-(6-chloro-2-fluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]-4,4-dimethylcyclohexyl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;3-[6-[1-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]-4,4-dimethylcyclohexyl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;3-[6-[1-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]silinan-1-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;tetrakis(platinum(2+)) is sourced from PubChem (CID 159620341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).