N-(3,5-ditert-butylphenyl)-6-(2,4-difluorobenzene-6-id-1-yl)-N-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]pyridin-2-amine;6-(2,4-difluorobenzene-6-id-1-yl)-N-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-N-(2,6-dimethylphenyl)pyridin-2-amine;6-(2,4-difluorobenzene-6-id-1-yl)-N-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-N-phenylpyridin-2-amine;3-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-4-phenoxy-2-pyridinyl]propan-2-yl]-4-phenoxy-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;tetrakis(platinum(2+))

C129H87F16N13O2Pt4 — CID 157438452

IUPACN-(3,5-ditert-butylphenyl)-6-(2,4-difluorobenzene-6-id-1-yl)-N-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]pyridin-2-amine;6-(2,4-difluorobenzene-6-id-1-yl)-N-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-N-(2,6-dimethylphenyl)pyridin-2-amine;6-(2,4-difluorobenzene-6-id-1-yl)-N-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-N-phenylpyridin-2-amine;3-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-4-phenoxy-2-pyridinyl]propan-2-yl]-4-phenoxy-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;tetrakis(platinum(2+))
SMILESCC(C)(C)c1cc(N(c2cccc(-c3[c-]cc(F)cc3F)n2)c2cccc(-c3[c-]cc(F)cc3F)n2)cc(C(C)(C)C)c1.CC(C)(c1cc(Oc2ccccc2)cc(-c2[c-]cc(F)nc2F)n1)c1cc(Oc2ccccc2)cc(-c2[c-]cc(F)nc2F)n1.Cc1cccc(C)c1N(c1cccc(-c2[c-]cc(F)cc2F)n1)c1cccc(-c2[c-]cc(F)cc2F)n1.Fc1c[c-]c(-c2cccc(N(c3ccccc3)c3cccc(-c4[c-]cc(F)cc4F)n3)n2)c(F)c1.[Pt+2].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/C36H31F4N3.C35H22F4N4O2.C30H19F4N3.C28H15F4N3.4Pt/c1-35(2,3)22-17-23(36(4,5)6)19-26(18-22)43(33-11-7-9-31(41-33)27-15-13-24(37)20-29(27)39)34-12-8-10-32(42-34)28-16-14-25(38)21-30(28)40;1-35(2,29-19-23(44-21-9-5-3-6-10-21)17-27(40-29)25-13-15-31(36)42-33(25)38)30-20-24(45-22-11-7-4-8-12-22)18-28(41-30)26-14-16-32(37)43-34(26)39;1-18-6-3-7-19(2)30(18)37(28-10-4-8-26(35-28)22-14-12-20(31)16-24(22)33)29-11-5-9-27(36-29)23-15-13-21(32)17-25(23)34;29-18-12-14-21(23(31)16-18)25-8-4-10-27(33-25)35(20-6-2-1-3-7-20)28-11-5-9-26(34-28)22-15-13-19(30)17-24(22)32;;;;/h7-14,17-21H,1-6H3;3-12,15-20H,1-2H3;3-13,16-17H,1-2H3;1-13,16-17H;;;;/q4*-2;4*+2
InChIKeyGNQJWGMVZCRLPV-UHFFFAOYSA-N
MW2935.48 g/mol
LogP34.18
Rot. Bonds23

About N-(3,5-ditert-butylphenyl)-6-(2,4-difluorobenzene-6-id-1-yl)-N-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]pyridin-2-amine;6-(2,4-difluorobenzene-6-id-1-yl)-N-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-N-(2,6-dimethylphenyl)pyridin-2-amine;6-(2,4-difluorobenzene-6-id-1-yl)-N-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-N-phenylpyridin-2-amine;3-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-4-phenoxy-2-pyridinyl]propan-2-yl]-4-phenoxy-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;tetrakis(platinum(2+))

N-(3,5-ditert-butylphenyl)-6-(2,4-difluorobenzene-6-id-1-yl)-N-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]pyridin-2-amine;6-(2,4-difluorobenzene-6-id-1-yl)-N-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-N-(2,6-dimethylphenyl)pyridin-2-amine;6-(2,4-difluorobenzene-6-id-1-yl)-N-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-N-phenylpyridin-2-amine;3-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-4-phenoxy-2-pyridinyl]propan-2-yl]-4-phenoxy-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;tetrakis(platinum(2+)) (PubChem CID 157438452) has the molecular formula C129H87F16N13O2Pt4 and a molecular weight of 2935.48 g/mol. Its IUPAC name is N-(3,5-ditert-butylphenyl)-6-(2,4-difluorobenzene-6-id-1-yl)-N-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]pyridin-2-amine;6-(2,4-difluorobenzene-6-id-1-yl)-N-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-N-(2,6-dimethylphenyl)pyridin-2-amine;6-(2,4-difluorobenzene-6-id-1-yl)-N-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-N-phenylpyridin-2-amine;3-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-4-phenoxy-2-pyridinyl]propan-2-yl]-4-phenoxy-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;tetrakis(platinum(2+)).

Molecular Properties

Compound NameN-(3,5-ditert-butylphenyl)-6-(2,4-difluorobenzene-6-id-1-yl)-N-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]pyridin-2-amine;6-(2,4-difluorobenzene-6-id-1-yl)-N-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-N-(2,6-dimethylphenyl)pyridin-2-amine;6-(2,4-difluorobenzene-6-id-1-yl)-N-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-N-phenylpyridin-2-amine;3-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-4-phenoxy-2-pyridinyl]propan-2-yl]-4-phenoxy-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;tetrakis(platinum(2+))
PubChem CID157438452
Molecular FormulaC129H87F16N13O2Pt4
Molecular Weight2935.48 g/mol
Exact Mass2933.54
IUPAC NameN-(3,5-ditert-butylphenyl)-6-(2,4-difluorobenzene-6-id-1-yl)-N-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]pyridin-2-amine;6-(2,4-difluorobenzene-6-id-1-yl)-N-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-N-(2,6-dimethylphenyl)pyridin-2-amine;6-(2,4-difluorobenzene-6-id-1-yl)-N-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-N-phenylpyridin-2-amine;3-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-4-phenoxy-2-pyridinyl]propan-2-yl]-4-phenoxy-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;tetrakis(platinum(2+))
SMILESCC(C)(C)c1cc(N(c2cccc(-c3[c-]cc(F)cc3F)n2)c2cccc(-c3[c-]cc(F)cc3F)n2)cc(C(C)(C)C)c1.CC(C)(c1cc(Oc2ccccc2)cc(-c2[c-]cc(F)nc2F)n1)c1cc(Oc2ccccc2)cc(-c2[c-]cc(F)nc2F)n1.Cc1cccc(C)c1N(c1cccc(-c2[c-]cc(F)cc2F)n1)c1cccc(-c2[c-]cc(F)cc2F)n1.Fc1c[c-]c(-c2cccc(N(c3ccccc3)c3cccc(-c4[c-]cc(F)cc4F)n3)n2)c(F)c1.[Pt+2].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/C36H31F4N3.C35H22F4N4O2.C30H19F4N3.C28H15F4N3.4Pt/c1-35(2,3)22-17-23(36(4,5)6)19-26(18-22)43(33-11-7-9-31(41-33)27-15-13-24(37)20-29(27)39)34-12-8-10-32(42-34)28-16-14-25(38)21-30(28)40;1-35(2,29-19-23(44-21-9-5-3-6-10-21)17-27(40-29)25-13-15-31(36)42-33(25)38)30-20-24(45-22-11-7-4-8-12-22)18-28(41-30)26-14-16-32(37)43-34(26)39;1-18-6-3-7-19(2)30(18)37(28-10-4-8-26(35-28)22-14-12-20(31)16-24(22)33)29-11-5-9-27(36-29)23-15-13-21(32)17-25(23)34;29-18-12-14-21(23(31)16-18)25-8-4-10-27(33-25)35(20-6-2-1-3-7-20)28-11-5-9-26(34-28)22-15-13-19(30)17-24(22)32;;;;/h7-14,17-21H,1-6H3;3-12,15-20H,1-2H3;3-13,16-17H,1-2H3;1-13,16-17H;;;;/q4*-2;4*+2
InChIKeyGNQJWGMVZCRLPV-UHFFFAOYSA-N
XLogP34.18
TPSA157.08 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds23
Heavy Atoms164
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002935.48
LogP ≤ 534.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze N-(3,5-ditert-butylphenyl)-6-(2,4-difluorobenzene-6-id-1-yl)-N-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]pyridin-2-amine;6-(2,4-difluorobenzene-6-id-1-yl)-N-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-N-(2,6-dimethylphenyl)pyridin-2-amine;6-(2,4-difluorobenzene-6-id-1-yl)-N-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-N-phenylpyridin-2-amine;3-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-4-phenoxy-2-pyridinyl]propan-2-yl]-4-phenoxy-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;tetrakis(platinum(2+)) with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-ditert-butylphenyl)-6-(2,4-difluorobenzene-6-id-1-yl)-N-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]pyridin-2-amine;6-(2,4-difluorobenzene-6-id-1-yl)-N-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-N-(2,6-dimethylphenyl)pyridin-2-amine;6-(2,4-difluorobenzene-6-id-1-yl)-N-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-N-phenylpyridin-2-amine;3-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-4-phenoxy-2-pyridinyl]propan-2-yl]-4-phenoxy-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;tetrakis(platinum(2+))?
The IUPAC name of N-(3,5-ditert-butylphenyl)-6-(2,4-difluorobenzene-6-id-1-yl)-N-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]pyridin-2-amine;6-(2,4-difluorobenzene-6-id-1-yl)-N-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-N-(2,6-dimethylphenyl)pyridin-2-amine;6-(2,4-difluorobenzene-6-id-1-yl)-N-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-N-phenylpyridin-2-amine;3-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-4-phenoxy-2-pyridinyl]propan-2-yl]-4-phenoxy-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;tetrakis(platinum(2+)) (CID 157438452) is N-(3,5-ditert-butylphenyl)-6-(2,4-difluorobenzene-6-id-1-yl)-N-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]pyridin-2-amine;6-(2,4-difluorobenzene-6-id-1-yl)-N-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-N-(2,6-dimethylphenyl)pyridin-2-amine;6-(2,4-difluorobenzene-6-id-1-yl)-N-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-N-phenylpyridin-2-amine;3-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-4-phenoxy-2-pyridinyl]propan-2-yl]-4-phenoxy-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;tetrakis(platinum(2+)).
What is the SMILES notation for N-(3,5-ditert-butylphenyl)-6-(2,4-difluorobenzene-6-id-1-yl)-N-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]pyridin-2-amine;6-(2,4-difluorobenzene-6-id-1-yl)-N-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-N-(2,6-dimethylphenyl)pyridin-2-amine;6-(2,4-difluorobenzene-6-id-1-yl)-N-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-N-phenylpyridin-2-amine;3-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-4-phenoxy-2-pyridinyl]propan-2-yl]-4-phenoxy-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;tetrakis(platinum(2+))?
The canonical SMILES for N-(3,5-ditert-butylphenyl)-6-(2,4-difluorobenzene-6-id-1-yl)-N-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]pyridin-2-amine;6-(2,4-difluorobenzene-6-id-1-yl)-N-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-N-(2,6-dimethylphenyl)pyridin-2-amine;6-(2,4-difluorobenzene-6-id-1-yl)-N-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-N-phenylpyridin-2-amine;3-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-4-phenoxy-2-pyridinyl]propan-2-yl]-4-phenoxy-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;tetrakis(platinum(2+)) is CC(C)(C)c1cc(N(c2cccc(-c3[c-]cc(F)cc3F)n2)c2cccc(-c3[c-]cc(F)cc3F)n2)cc(C(C)(C)C)c1.CC(C)(c1cc(Oc2ccccc2)cc(-c2[c-]cc(F)nc2F)n1)c1cc(Oc2ccccc2)cc(-c2[c-]cc(F)nc2F)n1.Cc1cccc(C)c1N(c1cccc(-c2[c-]cc(F)cc2F)n1)c1cccc(-c2[c-]cc(F)cc2F)n1.Fc1c[c-]c(-c2cccc(N(c3ccccc3)c3cccc(-c4[c-]cc(F)cc4F)n3)n2)c(F)c1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].
What is the InChIKey of N-(3,5-ditert-butylphenyl)-6-(2,4-difluorobenzene-6-id-1-yl)-N-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]pyridin-2-amine;6-(2,4-difluorobenzene-6-id-1-yl)-N-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-N-(2,6-dimethylphenyl)pyridin-2-amine;6-(2,4-difluorobenzene-6-id-1-yl)-N-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-N-phenylpyridin-2-amine;3-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-4-phenoxy-2-pyridinyl]propan-2-yl]-4-phenoxy-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;tetrakis(platinum(2+))?
The InChIKey is GNQJWGMVZCRLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H31F4N3.C35H22F4N4O2.C30H19F4N3.C28H15F4N3.4Pt/c1-35(2,3)22-17-23(36(4,5)6)19-26(18-22)43(33-11-7-9-31(41-33)27-15-13-24(37)20-29(27)39)34-12-8-10-32(42-34)28-16-14-25(38)21-30(28)40;1-35(2,29-19-23(44-21-9-5-3-6-10-21)17-27(40-29)25-13-15-31(36)42-33(25)38)30-20-24(45-22-11-7-4-8-12-22)18-28(41-30)26-14-16-32(37)43-34(26)39;1-18-6-3-7-19(2)30(18)37(28-10-4-8-26(35-28)22-14-12-20(31)16-24(22)33)29-11-5-9-27(36-29)23-15-13-21(32)17-25(23)34;29-18-12-14-21(23(31)16-18)25-8-4-10-27(33-25)35(20-6-2-1-3-7-20)28-11-5-9-26(34-28)22-15-13-19(30)17-24(22)32;;;;/h7-14,17-21H,1-6H3;3-12,15-20H,1-2H3;3-13,16-17H,1-2H3;1-13,16-17H;;;;/q4*-2;4*+2.
What are the key properties of N-(3,5-ditert-butylphenyl)-6-(2,4-difluorobenzene-6-id-1-yl)-N-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]pyridin-2-amine;6-(2,4-difluorobenzene-6-id-1-yl)-N-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-N-(2,6-dimethylphenyl)pyridin-2-amine;6-(2,4-difluorobenzene-6-id-1-yl)-N-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-N-phenylpyridin-2-amine;3-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-4-phenoxy-2-pyridinyl]propan-2-yl]-4-phenoxy-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;tetrakis(platinum(2+))?
N-(3,5-ditert-butylphenyl)-6-(2,4-difluorobenzene-6-id-1-yl)-N-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]pyridin-2-amine;6-(2,4-difluorobenzene-6-id-1-yl)-N-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-N-(2,6-dimethylphenyl)pyridin-2-amine;6-(2,4-difluorobenzene-6-id-1-yl)-N-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-N-phenylpyridin-2-amine;3-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-4-phenoxy-2-pyridinyl]propan-2-yl]-4-phenoxy-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;tetrakis(platinum(2+)) has a molecular weight of 2935.48 g/mol, XLogP of 34.18, 23 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-ditert-butylphenyl)-6-(2,4-difluorobenzene-6-id-1-yl)-N-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]pyridin-2-amine;6-(2,4-difluorobenzene-6-id-1-yl)-N-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-N-(2,6-dimethylphenyl)pyridin-2-amine;6-(2,4-difluorobenzene-6-id-1-yl)-N-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-N-phenylpyridin-2-amine;3-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-4-phenoxy-2-pyridinyl]propan-2-yl]-4-phenoxy-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;tetrakis(platinum(2+)) is sourced from PubChem (CID 157438452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).