4-tert-butyl-2-(2-phenylpropan-2-yl)-6-(6-pyridin-2-yl-2-pyridinyl)pyridine;2-[4-tert-butyl-6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-methylpropanoic acid;2-[[6-[4-tert-butyl-6-[3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]-2-pyridinyl]sulfanyl]benzenethiolate;2-[[6-[6-[2,4-difluoro-3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]-2-pyridinyl]methyl]phenol;4-phenyl-2-(phenylmethyl)-6-(6-pyridin-2-yl-2-pyridinyl)pyridine;platinum;platinum(2+)

C131H107F11N13O3Pt5S2-3 — CID 158224870

IUPAC4-tert-butyl-2-(2-phenylpropan-2-yl)-6-(6-pyridin-2-yl-2-pyridinyl)pyridine;2-[4-tert-butyl-6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-methylpropanoic acid;2-[[6-[4-tert-butyl-6-[3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]-2-pyridinyl]sulfanyl]benzenethiolate;2-[[6-[6-[2,4-difluoro-3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]-2-pyridinyl]methyl]phenol;4-phenyl-2-(phenylmethyl)-6-(6-pyridin-2-yl-2-pyridinyl)pyridine;platinum;platinum(2+)
SMILESCC(C)(C)c1cc(-c2[c-]ccc(C(F)(F)F)c2)nc(-c2cccc(Sc3ccccc3[S-])n2)c1.CC(C)(C)c1cc(-c2cccc(-c3ccccn3)n2)nc(C(C)(C)C(=O)O)c1.CC(C)(C)c1cc(-c2cccc(-c3ccccn3)n2)nc(C(C)(C)c2[c-]cccc2)c1.Oc1ccccc1Cc1cccc(-c2cccc(-c3[c-]c(C(F)(F)F)c(F)c(C(F)(F)F)c3F)n2)n1.[Pt+2].[Pt].[Pt].[Pt].[Pt].[c-]1ccccc1Cc1cc(-c2ccccc2)cc(-c2cccc(-c3ccccn3)n2)n1
InChIInChI=1S/C28H20N3.C28H28N3.C27H22F3N2S2.C25H13F8N2O.C23H25N3O2.5Pt/c1-3-10-21(11-4-1)18-24-19-23(22-12-5-2-6-13-22)20-28(30-24)27-16-9-15-26(31-27)25-14-7-8-17-29-25;1-27(2,3)21-18-25(24-16-11-15-23(30-24)22-14-9-10-17-29-22)31-26(19-21)28(4,5)20-12-7-6-8-13-20;1-26(2,3)19-15-21(17-8-6-9-18(14-17)27(28,29)30)31-22(16-19)20-10-7-13-25(32-20)34-24-12-5-4-11-23(24)33;26-22-15(12-16(24(28,29)30)23(27)21(22)25(31,32)33)17-7-4-9-19(35-17)18-8-3-6-14(34-18)11-13-5-1-2-10-20(13)36;1-22(2,3)15-13-19(26-20(14-15)23(4,5)21(27)28)18-11-8-10-17(25-18)16-9-6-7-12-24-16;;;;;/h1-10,12-17,19-20H,18H2;6-12,14-19H,1-5H3;4-7,9-16,33H,1-3H3;1-10,36H,11H2;6-14H,1-5H3,(H,27,28);;;;;/q4*-1;;;;;;+2/p-1
InChIKeyOROJRKVSKVQJMB-UHFFFAOYSA-M
MW3159.89 g/mol
LogP32.95
Rot. Bonds21

About 4-tert-butyl-2-(2-phenylpropan-2-yl)-6-(6-pyridin-2-yl-2-pyridinyl)pyridine;2-[4-tert-butyl-6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-methylpropanoic acid;2-[[6-[4-tert-butyl-6-[3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]-2-pyridinyl]sulfanyl]benzenethiolate;2-[[6-[6-[2,4-difluoro-3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]-2-pyridinyl]methyl]phenol;4-phenyl-2-(phenylmethyl)-6-(6-pyridin-2-yl-2-pyridinyl)pyridine;platinum;platinum(2+)

4-tert-butyl-2-(2-phenylpropan-2-yl)-6-(6-pyridin-2-yl-2-pyridinyl)pyridine;2-[4-tert-butyl-6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-methylpropanoic acid;2-[[6-[4-tert-butyl-6-[3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]-2-pyridinyl]sulfanyl]benzenethiolate;2-[[6-[6-[2,4-difluoro-3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]-2-pyridinyl]methyl]phenol;4-phenyl-2-(phenylmethyl)-6-(6-pyridin-2-yl-2-pyridinyl)pyridine;platinum;platinum(2+) (PubChem CID 158224870) has the molecular formula C131H107F11N13O3Pt5S2-3 and a molecular weight of 3159.89 g/mol. Its IUPAC name is 4-tert-butyl-2-(2-phenylpropan-2-yl)-6-(6-pyridin-2-yl-2-pyridinyl)pyridine;2-[4-tert-butyl-6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-methylpropanoic acid;2-[[6-[4-tert-butyl-6-[3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]-2-pyridinyl]sulfanyl]benzenethiolate;2-[[6-[6-[2,4-difluoro-3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]-2-pyridinyl]methyl]phenol;4-phenyl-2-(phenylmethyl)-6-(6-pyridin-2-yl-2-pyridinyl)pyridine;platinum;platinum(2+).

Molecular Properties

Compound Name4-tert-butyl-2-(2-phenylpropan-2-yl)-6-(6-pyridin-2-yl-2-pyridinyl)pyridine;2-[4-tert-butyl-6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-methylpropanoic acid;2-[[6-[4-tert-butyl-6-[3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]-2-pyridinyl]sulfanyl]benzenethiolate;2-[[6-[6-[2,4-difluoro-3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]-2-pyridinyl]methyl]phenol;4-phenyl-2-(phenylmethyl)-6-(6-pyridin-2-yl-2-pyridinyl)pyridine;platinum;platinum(2+)
PubChem CID158224870
Molecular FormulaC131H107F11N13O3Pt5S2-3
Molecular Weight3159.89 g/mol
Exact Mass3157.61
IUPAC Name4-tert-butyl-2-(2-phenylpropan-2-yl)-6-(6-pyridin-2-yl-2-pyridinyl)pyridine;2-[4-tert-butyl-6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-methylpropanoic acid;2-[[6-[4-tert-butyl-6-[3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]-2-pyridinyl]sulfanyl]benzenethiolate;2-[[6-[6-[2,4-difluoro-3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]-2-pyridinyl]methyl]phenol;4-phenyl-2-(phenylmethyl)-6-(6-pyridin-2-yl-2-pyridinyl)pyridine;platinum;platinum(2+)
SMILESCC(C)(C)c1cc(-c2[c-]ccc(C(F)(F)F)c2)nc(-c2cccc(Sc3ccccc3[S-])n2)c1.CC(C)(C)c1cc(-c2cccc(-c3ccccn3)n2)nc(C(C)(C)C(=O)O)c1.CC(C)(C)c1cc(-c2cccc(-c3ccccn3)n2)nc(C(C)(C)c2[c-]cccc2)c1.Oc1ccccc1Cc1cccc(-c2cccc(-c3[c-]c(C(F)(F)F)c(F)c(C(F)(F)F)c3F)n2)n1.[Pt+2].[Pt].[Pt].[Pt].[Pt].[c-]1ccccc1Cc1cc(-c2ccccc2)cc(-c2cccc(-c3ccccn3)n2)n1
InChIInChI=1S/C28H20N3.C28H28N3.C27H22F3N2S2.C25H13F8N2O.C23H25N3O2.5Pt/c1-3-10-21(11-4-1)18-24-19-23(22-12-5-2-6-13-22)20-28(30-24)27-16-9-15-26(31-27)25-14-7-8-17-29-25;1-27(2,3)21-18-25(24-16-11-15-23(30-24)22-14-9-10-17-29-22)31-26(19-21)28(4,5)20-12-7-6-8-13-20;1-26(2,3)19-15-21(17-8-6-9-18(14-17)27(28,29)30)31-22(16-19)20-10-7-13-25(32-20)34-24-12-5-4-11-23(24)33;26-22-15(12-16(24(28,29)30)23(27)21(22)25(31,32)33)17-7-4-9-19(35-17)18-8-3-6-14(34-18)11-13-5-1-2-10-20(13)36;1-22(2,3)15-13-19(26-20(14-15)23(4,5)21(27)28)18-11-8-10-17(25-18)16-9-6-7-12-24-16;;;;;/h1-10,12-17,19-20H,18H2;6-12,14-19H,1-5H3;4-7,9-16,33H,1-3H3;1-10,36H,11H2;6-14H,1-5H3,(H,27,28);;;;;/q4*-1;;;;;;+2/p-1
InChIKeyOROJRKVSKVQJMB-UHFFFAOYSA-M
XLogP32.95
TPSA225.10 Ų
H-Bond Donors2
H-Bond Acceptors17
Rotatable Bonds21
Heavy Atoms165
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003159.89
LogP ≤ 532.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

Analyze 4-tert-butyl-2-(2-phenylpropan-2-yl)-6-(6-pyridin-2-yl-2-pyridinyl)pyridine;2-[4-tert-butyl-6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-methylpropanoic acid;2-[[6-[4-tert-butyl-6-[3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]-2-pyridinyl]sulfanyl]benzenethiolate;2-[[6-[6-[2,4-difluoro-3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]-2-pyridinyl]methyl]phenol;4-phenyl-2-(phenylmethyl)-6-(6-pyridin-2-yl-2-pyridinyl)pyridine;platinum;platinum(2+) with MolForge

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Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(2-phenylpropan-2-yl)-6-(6-pyridin-2-yl-2-pyridinyl)pyridine;2-[4-tert-butyl-6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-methylpropanoic acid;2-[[6-[4-tert-butyl-6-[3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]-2-pyridinyl]sulfanyl]benzenethiolate;2-[[6-[6-[2,4-difluoro-3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]-2-pyridinyl]methyl]phenol;4-phenyl-2-(phenylmethyl)-6-(6-pyridin-2-yl-2-pyridinyl)pyridine;platinum;platinum(2+)?
The IUPAC name of 4-tert-butyl-2-(2-phenylpropan-2-yl)-6-(6-pyridin-2-yl-2-pyridinyl)pyridine;2-[4-tert-butyl-6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-methylpropanoic acid;2-[[6-[4-tert-butyl-6-[3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]-2-pyridinyl]sulfanyl]benzenethiolate;2-[[6-[6-[2,4-difluoro-3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]-2-pyridinyl]methyl]phenol;4-phenyl-2-(phenylmethyl)-6-(6-pyridin-2-yl-2-pyridinyl)pyridine;platinum;platinum(2+) (CID 158224870) is 4-tert-butyl-2-(2-phenylpropan-2-yl)-6-(6-pyridin-2-yl-2-pyridinyl)pyridine;2-[4-tert-butyl-6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-methylpropanoic acid;2-[[6-[4-tert-butyl-6-[3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]-2-pyridinyl]sulfanyl]benzenethiolate;2-[[6-[6-[2,4-difluoro-3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]-2-pyridinyl]methyl]phenol;4-phenyl-2-(phenylmethyl)-6-(6-pyridin-2-yl-2-pyridinyl)pyridine;platinum;platinum(2+).
What is the SMILES notation for 4-tert-butyl-2-(2-phenylpropan-2-yl)-6-(6-pyridin-2-yl-2-pyridinyl)pyridine;2-[4-tert-butyl-6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-methylpropanoic acid;2-[[6-[4-tert-butyl-6-[3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]-2-pyridinyl]sulfanyl]benzenethiolate;2-[[6-[6-[2,4-difluoro-3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]-2-pyridinyl]methyl]phenol;4-phenyl-2-(phenylmethyl)-6-(6-pyridin-2-yl-2-pyridinyl)pyridine;platinum;platinum(2+)?
The canonical SMILES for 4-tert-butyl-2-(2-phenylpropan-2-yl)-6-(6-pyridin-2-yl-2-pyridinyl)pyridine;2-[4-tert-butyl-6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-methylpropanoic acid;2-[[6-[4-tert-butyl-6-[3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]-2-pyridinyl]sulfanyl]benzenethiolate;2-[[6-[6-[2,4-difluoro-3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]-2-pyridinyl]methyl]phenol;4-phenyl-2-(phenylmethyl)-6-(6-pyridin-2-yl-2-pyridinyl)pyridine;platinum;platinum(2+) is CC(C)(C)c1cc(-c2[c-]ccc(C(F)(F)F)c2)nc(-c2cccc(Sc3ccccc3[S-])n2)c1.CC(C)(C)c1cc(-c2cccc(-c3ccccn3)n2)nc(C(C)(C)C(=O)O)c1.CC(C)(C)c1cc(-c2cccc(-c3ccccn3)n2)nc(C(C)(C)c2[c-]cccc2)c1.Oc1ccccc1Cc1cccc(-c2cccc(-c3[c-]c(C(F)(F)F)c(F)c(C(F)(F)F)c3F)n2)n1.[Pt+2].[Pt].[Pt].[Pt].[Pt].[c-]1ccccc1Cc1cc(-c2ccccc2)cc(-c2cccc(-c3ccccn3)n2)n1.
What is the InChIKey of 4-tert-butyl-2-(2-phenylpropan-2-yl)-6-(6-pyridin-2-yl-2-pyridinyl)pyridine;2-[4-tert-butyl-6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-methylpropanoic acid;2-[[6-[4-tert-butyl-6-[3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]-2-pyridinyl]sulfanyl]benzenethiolate;2-[[6-[6-[2,4-difluoro-3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]-2-pyridinyl]methyl]phenol;4-phenyl-2-(phenylmethyl)-6-(6-pyridin-2-yl-2-pyridinyl)pyridine;platinum;platinum(2+)?
The InChIKey is OROJRKVSKVQJMB-UHFFFAOYSA-M. The full InChI is InChI=1S/C28H20N3.C28H28N3.C27H22F3N2S2.C25H13F8N2O.C23H25N3O2.5Pt/c1-3-10-21(11-4-1)18-24-19-23(22-12-5-2-6-13-22)20-28(30-24)27-16-9-15-26(31-27)25-14-7-8-17-29-25;1-27(2,3)21-18-25(24-16-11-15-23(30-24)22-14-9-10-17-29-22)31-26(19-21)28(4,5)20-12-7-6-8-13-20;1-26(2,3)19-15-21(17-8-6-9-18(14-17)27(28,29)30)31-22(16-19)20-10-7-13-25(32-20)34-24-12-5-4-11-23(24)33;26-22-15(12-16(24(28,29)30)23(27)21(22)25(31,32)33)17-7-4-9-19(35-17)18-8-3-6-14(34-18)11-13-5-1-2-10-20(13)36;1-22(2,3)15-13-19(26-20(14-15)23(4,5)21(27)28)18-11-8-10-17(25-18)16-9-6-7-12-24-16;;;;;/h1-10,12-17,19-20H,18H2;6-12,14-19H,1-5H3;4-7,9-16,33H,1-3H3;1-10,36H,11H2;6-14H,1-5H3,(H,27,28);;;;;/q4*-1;;;;;;+2/p-1.
What are the key properties of 4-tert-butyl-2-(2-phenylpropan-2-yl)-6-(6-pyridin-2-yl-2-pyridinyl)pyridine;2-[4-tert-butyl-6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-methylpropanoic acid;2-[[6-[4-tert-butyl-6-[3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]-2-pyridinyl]sulfanyl]benzenethiolate;2-[[6-[6-[2,4-difluoro-3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]-2-pyridinyl]methyl]phenol;4-phenyl-2-(phenylmethyl)-6-(6-pyridin-2-yl-2-pyridinyl)pyridine;platinum;platinum(2+)?
4-tert-butyl-2-(2-phenylpropan-2-yl)-6-(6-pyridin-2-yl-2-pyridinyl)pyridine;2-[4-tert-butyl-6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-methylpropanoic acid;2-[[6-[4-tert-butyl-6-[3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]-2-pyridinyl]sulfanyl]benzenethiolate;2-[[6-[6-[2,4-difluoro-3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]-2-pyridinyl]methyl]phenol;4-phenyl-2-(phenylmethyl)-6-(6-pyridin-2-yl-2-pyridinyl)pyridine;platinum;platinum(2+) has a molecular weight of 3159.89 g/mol, XLogP of 32.95, 21 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(2-phenylpropan-2-yl)-6-(6-pyridin-2-yl-2-pyridinyl)pyridine;2-[4-tert-butyl-6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-methylpropanoic acid;2-[[6-[4-tert-butyl-6-[3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]-2-pyridinyl]sulfanyl]benzenethiolate;2-[[6-[6-[2,4-difluoro-3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]-2-pyridinyl]methyl]phenol;4-phenyl-2-(phenylmethyl)-6-(6-pyridin-2-yl-2-pyridinyl)pyridine;platinum;platinum(2+) is sourced from PubChem (CID 158224870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).