dimethylphosphinous acid;6-[4-(4-fluorophenoxy)phenyl]-4-[[(2-methoxy-4-methylphenyl)methylamino]methyl]pyridine-2-carbonitrile;6-[4-(4-fluorophenoxy)phenyl]-4-[[(2-methoxy-4-methylphenyl)methyl-methylamino]methyl]pyridine-2-carbonitrile;6-[4-(4-fluorophenoxy)phenyl]-4-propylpyridine-2-carbonitrile;6-[4-(4-fluorophenoxy)phenyl]-4-propylpyridine-2-carboxamide;methylphosphonoylmethane;platinum monohydride;tris(sulfur dioxide)

C105H107F4N10O16P3PtS3 — CID 157153266

IUPACdimethylphosphinous acid;6-[4-(4-fluorophenoxy)phenyl]-4-[[(2-methoxy-4-methylphenyl)methylamino]methyl]pyridine-2-carbonitrile;6-[4-(4-fluorophenoxy)phenyl]-4-[[(2-methoxy-4-methylphenyl)methyl-methylamino]methyl]pyridine-2-carbonitrile;6-[4-(4-fluorophenoxy)phenyl]-4-propylpyridine-2-carbonitrile;6-[4-(4-fluorophenoxy)phenyl]-4-propylpyridine-2-carboxamide;methylphosphonoylmethane;platinum monohydride;tris(sulfur dioxide)
SMILESCCCc1cc(C#N)nc(-c2ccc(Oc3ccc(F)cc3)cc2)c1.CCCc1cc(C(N)=O)nc(-c2ccc(Oc3ccc(F)cc3)cc2)c1.COc1cc(C)ccc1CN(C)Cc1cc(C#N)nc(-c2ccc(Oc3ccc(F)cc3)cc2)c1.COc1cc(C)ccc1CNCc1cc(C#N)nc(-c2ccc(Oc3ccc(F)cc3)cc2)c1.CP(C)O.C[PH](C)=O.C[PH](C)=O.O=S=O.O=S=O.O=S=O.[Pt]
InChIInChI=1S/C29H26FN3O2.C28H24FN3O2.C21H19FN2O2.C21H17FN2O.3C2H7OP.3O2S.Pt/c1-20-4-5-23(29(14-20)34-3)19-33(2)18-21-15-25(17-31)32-28(16-21)22-6-10-26(11-7-22)35-27-12-8-24(30)9-13-27;1-19-3-4-22(28(13-19)33-2)18-31-17-20-14-24(16-30)32-27(15-20)21-5-9-25(10-6-21)34-26-11-7-23(29)8-12-26;1-2-3-14-12-19(24-20(13-14)21(23)25)15-4-8-17(9-5-15)26-18-10-6-16(22)7-11-18;1-2-3-15-12-18(14-23)24-21(13-15)16-4-8-19(9-5-16)25-20-10-6-17(22)7-11-20;3*1-4(2)3;3*1-3-2;/h4-16H,18-19H2,1-3H3;3-15,31H,17-18H2,1-2H3;4-13H,2-3H2,1H3,(H2,23,25);4-13H,2-3H2,1H3;2*4H,1-2H3;3H,1-2H3;;;;
InChIKeyQFQAYRRSSDUABQ-UHFFFAOYSA-N
MW2225.26 g/mol
LogP23.13
Rot. Bonds27

About dimethylphosphinous acid;6-[4-(4-fluorophenoxy)phenyl]-4-[[(2-methoxy-4-methylphenyl)methylamino]methyl]pyridine-2-carbonitrile;6-[4-(4-fluorophenoxy)phenyl]-4-[[(2-methoxy-4-methylphenyl)methyl-methylamino]methyl]pyridine-2-carbonitrile;6-[4-(4-fluorophenoxy)phenyl]-4-propylpyridine-2-carbonitrile;6-[4-(4-fluorophenoxy)phenyl]-4-propylpyridine-2-carboxamide;methylphosphonoylmethane;platinum monohydride;tris(sulfur dioxide)

dimethylphosphinous acid;6-[4-(4-fluorophenoxy)phenyl]-4-[[(2-methoxy-4-methylphenyl)methylamino]methyl]pyridine-2-carbonitrile;6-[4-(4-fluorophenoxy)phenyl]-4-[[(2-methoxy-4-methylphenyl)methyl-methylamino]methyl]pyridine-2-carbonitrile;6-[4-(4-fluorophenoxy)phenyl]-4-propylpyridine-2-carbonitrile;6-[4-(4-fluorophenoxy)phenyl]-4-propylpyridine-2-carboxamide;methylphosphonoylmethane;platinum monohydride;tris(sulfur dioxide) (PubChem CID 157153266) has the molecular formula C105H107F4N10O16P3PtS3 and a molecular weight of 2225.26 g/mol. Its IUPAC name is dimethylphosphinous acid;6-[4-(4-fluorophenoxy)phenyl]-4-[[(2-methoxy-4-methylphenyl)methylamino]methyl]pyridine-2-carbonitrile;6-[4-(4-fluorophenoxy)phenyl]-4-[[(2-methoxy-4-methylphenyl)methyl-methylamino]methyl]pyridine-2-carbonitrile;6-[4-(4-fluorophenoxy)phenyl]-4-propylpyridine-2-carbonitrile;6-[4-(4-fluorophenoxy)phenyl]-4-propylpyridine-2-carboxamide;methylphosphonoylmethane;platinum monohydride;tris(sulfur dioxide).

Molecular Properties

Compound Namedimethylphosphinous acid;6-[4-(4-fluorophenoxy)phenyl]-4-[[(2-methoxy-4-methylphenyl)methylamino]methyl]pyridine-2-carbonitrile;6-[4-(4-fluorophenoxy)phenyl]-4-[[(2-methoxy-4-methylphenyl)methyl-methylamino]methyl]pyridine-2-carbonitrile;6-[4-(4-fluorophenoxy)phenyl]-4-propylpyridine-2-carbonitrile;6-[4-(4-fluorophenoxy)phenyl]-4-propylpyridine-2-carboxamide;methylphosphonoylmethane;platinum monohydride;tris(sulfur dioxide)
PubChem CID157153266
Molecular FormulaC105H107F4N10O16P3PtS3
Molecular Weight2225.26 g/mol
Exact Mass2223.58
IUPAC Namedimethylphosphinous acid;6-[4-(4-fluorophenoxy)phenyl]-4-[[(2-methoxy-4-methylphenyl)methylamino]methyl]pyridine-2-carbonitrile;6-[4-(4-fluorophenoxy)phenyl]-4-[[(2-methoxy-4-methylphenyl)methyl-methylamino]methyl]pyridine-2-carbonitrile;6-[4-(4-fluorophenoxy)phenyl]-4-propylpyridine-2-carbonitrile;6-[4-(4-fluorophenoxy)phenyl]-4-propylpyridine-2-carboxamide;methylphosphonoylmethane;platinum monohydride;tris(sulfur dioxide)
SMILESCCCc1cc(C#N)nc(-c2ccc(Oc3ccc(F)cc3)cc2)c1.CCCc1cc(C(N)=O)nc(-c2ccc(Oc3ccc(F)cc3)cc2)c1.COc1cc(C)ccc1CN(C)Cc1cc(C#N)nc(-c2ccc(Oc3ccc(F)cc3)cc2)c1.COc1cc(C)ccc1CNCc1cc(C#N)nc(-c2ccc(Oc3ccc(F)cc3)cc2)c1.CP(C)O.C[PH](C)=O.C[PH](C)=O.O=S=O.O=S=O.O=S=O.[Pt]
InChIInChI=1S/C29H26FN3O2.C28H24FN3O2.C21H19FN2O2.C21H17FN2O.3C2H7OP.3O2S.Pt/c1-20-4-5-23(29(14-20)34-3)19-33(2)18-21-15-25(17-31)32-28(16-21)22-6-10-26(11-7-22)35-27-12-8-24(30)9-13-27;1-19-3-4-22(28(13-19)33-2)18-31-17-20-14-24(16-30)32-27(15-20)21-5-9-25(10-6-21)34-26-11-7-23(29)8-12-26;1-2-3-14-12-19(24-20(13-14)21(23)25)15-4-8-17(9-5-15)26-18-10-6-16(22)7-11-18;1-2-3-15-12-18(14-23)24-21(13-15)16-4-8-19(9-5-16)25-20-10-6-17(22)7-11-20;3*1-4(2)3;3*1-3-2;/h4-16H,18-19H2,1-3H3;3-15,31H,17-18H2,1-2H3;4-13H,2-3H2,1H3,(H2,23,25);4-13H,2-3H2,1H3;2*4H,1-2H3;3H,1-2H3;;;;
InChIKeyQFQAYRRSSDUABQ-UHFFFAOYSA-N
XLogP23.13
TPSA393.46 Ų
H-Bond Donors3
H-Bond Acceptors25
Rotatable Bonds27
Heavy Atoms142
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002225.26
LogP ≤ 523.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze dimethylphosphinous acid;6-[4-(4-fluorophenoxy)phenyl]-4-[[(2-methoxy-4-methylphenyl)methylamino]methyl]pyridine-2-carbonitrile;6-[4-(4-fluorophenoxy)phenyl]-4-[[(2-methoxy-4-methylphenyl)methyl-methylamino]methyl]pyridine-2-carbonitrile;6-[4-(4-fluorophenoxy)phenyl]-4-propylpyridine-2-carbonitrile;6-[4-(4-fluorophenoxy)phenyl]-4-propylpyridine-2-carboxamide;methylphosphonoylmethane;platinum monohydride;tris(sulfur dioxide) with MolForge

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Related Compounds

4-[[(2,4-dimethoxyphenyl)methylamino]methyl]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carbonitrile
CID 66806467
6-[4-(4-fluorophenoxy)phenyl]-4-[[2-(2-oxoimidazolidin-1-yl)ethylamino]methyl]pyridine-2-carboxamide
CID 56943523
4-[(2R)-2,3-dihydroxypropyl]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide
CID 66799547
6-[4-(4-fluorophenoxy)phenyl]-4-(pyrimidin-2-ylmethylamino)pyridine-2-carboxamide
CID 56943461
4-chloro-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide
CID 66806391
N-[2-(dimethylamino)ethyl]-6-[4-(4-fluorophenoxy)phenyl]-4-methoxypyridine-2-carboxamide
CID 11475352
6-[4-(4-fluorophenoxy)phenyl]-4-[4-(2-oxoimidazolidin-1-yl)butyl]pyridine-2-carbonitrile
CID 152866537
4-(N-(2-amino-2-oxoethyl)anilino)-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide
CID 66799553
N-ethyl-6-[4-(4-fluorophenoxy)phenyl]-4-methoxy-N',N'-dimethylpyridine-2-carbohydrazide
CID 68527403
3-[[[4-(4-fluorophenoxy)phenyl]methyl-methylamino]methyl]-4-methoxybenzaldehyde
CID 88939638
2-[[4-cyano-6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]amino]propanamide
CID 66799611
4-[[(2,4-dimethoxyphenyl)methylamino]methyl]pyridine-2-carbonitrile
CID 63880762

Frequently Asked Questions

What is the IUPAC name of dimethylphosphinous acid;6-[4-(4-fluorophenoxy)phenyl]-4-[[(2-methoxy-4-methylphenyl)methylamino]methyl]pyridine-2-carbonitrile;6-[4-(4-fluorophenoxy)phenyl]-4-[[(2-methoxy-4-methylphenyl)methyl-methylamino]methyl]pyridine-2-carbonitrile;6-[4-(4-fluorophenoxy)phenyl]-4-propylpyridine-2-carbonitrile;6-[4-(4-fluorophenoxy)phenyl]-4-propylpyridine-2-carboxamide;methylphosphonoylmethane;platinum monohydride;tris(sulfur dioxide)?
The IUPAC name of dimethylphosphinous acid;6-[4-(4-fluorophenoxy)phenyl]-4-[[(2-methoxy-4-methylphenyl)methylamino]methyl]pyridine-2-carbonitrile;6-[4-(4-fluorophenoxy)phenyl]-4-[[(2-methoxy-4-methylphenyl)methyl-methylamino]methyl]pyridine-2-carbonitrile;6-[4-(4-fluorophenoxy)phenyl]-4-propylpyridine-2-carbonitrile;6-[4-(4-fluorophenoxy)phenyl]-4-propylpyridine-2-carboxamide;methylphosphonoylmethane;platinum monohydride;tris(sulfur dioxide) (CID 157153266) is dimethylphosphinous acid;6-[4-(4-fluorophenoxy)phenyl]-4-[[(2-methoxy-4-methylphenyl)methylamino]methyl]pyridine-2-carbonitrile;6-[4-(4-fluorophenoxy)phenyl]-4-[[(2-methoxy-4-methylphenyl)methyl-methylamino]methyl]pyridine-2-carbonitrile;6-[4-(4-fluorophenoxy)phenyl]-4-propylpyridine-2-carbonitrile;6-[4-(4-fluorophenoxy)phenyl]-4-propylpyridine-2-carboxamide;methylphosphonoylmethane;platinum monohydride;tris(sulfur dioxide).
What is the SMILES notation for dimethylphosphinous acid;6-[4-(4-fluorophenoxy)phenyl]-4-[[(2-methoxy-4-methylphenyl)methylamino]methyl]pyridine-2-carbonitrile;6-[4-(4-fluorophenoxy)phenyl]-4-[[(2-methoxy-4-methylphenyl)methyl-methylamino]methyl]pyridine-2-carbonitrile;6-[4-(4-fluorophenoxy)phenyl]-4-propylpyridine-2-carbonitrile;6-[4-(4-fluorophenoxy)phenyl]-4-propylpyridine-2-carboxamide;methylphosphonoylmethane;platinum monohydride;tris(sulfur dioxide)?
The canonical SMILES for dimethylphosphinous acid;6-[4-(4-fluorophenoxy)phenyl]-4-[[(2-methoxy-4-methylphenyl)methylamino]methyl]pyridine-2-carbonitrile;6-[4-(4-fluorophenoxy)phenyl]-4-[[(2-methoxy-4-methylphenyl)methyl-methylamino]methyl]pyridine-2-carbonitrile;6-[4-(4-fluorophenoxy)phenyl]-4-propylpyridine-2-carbonitrile;6-[4-(4-fluorophenoxy)phenyl]-4-propylpyridine-2-carboxamide;methylphosphonoylmethane;platinum monohydride;tris(sulfur dioxide) is CCCc1cc(C#N)nc(-c2ccc(Oc3ccc(F)cc3)cc2)c1.CCCc1cc(C(N)=O)nc(-c2ccc(Oc3ccc(F)cc3)cc2)c1.COc1cc(C)ccc1CN(C)Cc1cc(C#N)nc(-c2ccc(Oc3ccc(F)cc3)cc2)c1.COc1cc(C)ccc1CNCc1cc(C#N)nc(-c2ccc(Oc3ccc(F)cc3)cc2)c1.CP(C)O.C[PH](C)=O.C[PH](C)=O.O=S=O.O=S=O.O=S=O.[Pt].
What is the InChIKey of dimethylphosphinous acid;6-[4-(4-fluorophenoxy)phenyl]-4-[[(2-methoxy-4-methylphenyl)methylamino]methyl]pyridine-2-carbonitrile;6-[4-(4-fluorophenoxy)phenyl]-4-[[(2-methoxy-4-methylphenyl)methyl-methylamino]methyl]pyridine-2-carbonitrile;6-[4-(4-fluorophenoxy)phenyl]-4-propylpyridine-2-carbonitrile;6-[4-(4-fluorophenoxy)phenyl]-4-propylpyridine-2-carboxamide;methylphosphonoylmethane;platinum monohydride;tris(sulfur dioxide)?
The InChIKey is QFQAYRRSSDUABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26FN3O2.C28H24FN3O2.C21H19FN2O2.C21H17FN2O.3C2H7OP.3O2S.Pt/c1-20-4-5-23(29(14-20)34-3)19-33(2)18-21-15-25(17-31)32-28(16-21)22-6-10-26(11-7-22)35-27-12-8-24(30)9-13-27;1-19-3-4-22(28(13-19)33-2)18-31-17-20-14-24(16-30)32-27(15-20)21-5-9-25(10-6-21)34-26-11-7-23(29)8-12-26;1-2-3-14-12-19(24-20(13-14)21(23)25)15-4-8-17(9-5-15)26-18-10-6-16(22)7-11-18;1-2-3-15-12-18(14-23)24-21(13-15)16-4-8-19(9-5-16)25-20-10-6-17(22)7-11-20;3*1-4(2)3;3*1-3-2;/h4-16H,18-19H2,1-3H3;3-15,31H,17-18H2,1-2H3;4-13H,2-3H2,1H3,(H2,23,25);4-13H,2-3H2,1H3;2*4H,1-2H3;3H,1-2H3;;;;.
What are the key properties of dimethylphosphinous acid;6-[4-(4-fluorophenoxy)phenyl]-4-[[(2-methoxy-4-methylphenyl)methylamino]methyl]pyridine-2-carbonitrile;6-[4-(4-fluorophenoxy)phenyl]-4-[[(2-methoxy-4-methylphenyl)methyl-methylamino]methyl]pyridine-2-carbonitrile;6-[4-(4-fluorophenoxy)phenyl]-4-propylpyridine-2-carbonitrile;6-[4-(4-fluorophenoxy)phenyl]-4-propylpyridine-2-carboxamide;methylphosphonoylmethane;platinum monohydride;tris(sulfur dioxide)?
dimethylphosphinous acid;6-[4-(4-fluorophenoxy)phenyl]-4-[[(2-methoxy-4-methylphenyl)methylamino]methyl]pyridine-2-carbonitrile;6-[4-(4-fluorophenoxy)phenyl]-4-[[(2-methoxy-4-methylphenyl)methyl-methylamino]methyl]pyridine-2-carbonitrile;6-[4-(4-fluorophenoxy)phenyl]-4-propylpyridine-2-carbonitrile;6-[4-(4-fluorophenoxy)phenyl]-4-propylpyridine-2-carboxamide;methylphosphonoylmethane;platinum monohydride;tris(sulfur dioxide) has a molecular weight of 2225.26 g/mol, XLogP of 23.13, 27 rotatable bonds, 3 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylphosphinous acid;6-[4-(4-fluorophenoxy)phenyl]-4-[[(2-methoxy-4-methylphenyl)methylamino]methyl]pyridine-2-carbonitrile;6-[4-(4-fluorophenoxy)phenyl]-4-[[(2-methoxy-4-methylphenyl)methyl-methylamino]methyl]pyridine-2-carbonitrile;6-[4-(4-fluorophenoxy)phenyl]-4-propylpyridine-2-carbonitrile;6-[4-(4-fluorophenoxy)phenyl]-4-propylpyridine-2-carboxamide;methylphosphonoylmethane;platinum monohydride;tris(sulfur dioxide) is sourced from PubChem (CID 157153266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).