4-tert-butyl-2-[6-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)pyrazin-2-yl]phenol;2-tert-butyl-6-[4-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)pyrimidin-2-yl]phenol;2-[4-tert-butyl-6-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)-1,3,5-triazin-2-yl]phenol;2-[4-phenyl-6-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)-1,3,5-triazin-2-yl]phenol;platinum

C100H82N14O4Pt4S4-4 — CID 158238954

About 4-tert-butyl-2-[6-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)pyrazin-2-yl]phenol;2-tert-butyl-6-[4-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)pyrimidin-2-yl]phenol;2-[4-tert-butyl-6-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)-1,3,5-triazin-2-yl]phenol;2-[4-phenyl-6-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)-1,3,5-triazin-2-yl]phenol;platinum

4-tert-butyl-2-[6-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)pyrazin-2-yl]phenol;2-tert-butyl-6-[4-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)pyrimidin-2-yl]phenol;2-[4-tert-butyl-6-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)-1,3,5-triazin-2-yl]phenol;2-[4-phenyl-6-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)-1,3,5-triazin-2-yl]phenol;platinum (PubChem CID 158238954) has the molecular formula C100H82N14O4Pt4S4-4 and a molecular weight of 2452.43 g/mol. Its IUPAC name is 4-tert-butyl-2-[6-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)pyrazin-2-yl]phenol;2-tert-butyl-6-[4-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)pyrimidin-2-yl]phenol;2-[4-tert-butyl-6-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)-1,3,5-triazin-2-yl]phenol;2-[4-phenyl-6-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)-1,3,5-triazin-2-yl]phenol;platinum.

Molecular Properties

• Compound Name: 4-tert-butyl-2-[6-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)pyrazin-2-yl]phenol;2-tert-butyl-6-[4-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)pyrimidin-2-yl]phenol;2-[4-tert-butyl-6-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)-1,3,5-triazin-2-yl]phenol;2-[4-phenyl-6-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)-1,3,5-triazin-2-yl]phenol;platinum
• PubChem CID: 158238954
• Molecular Formula: C100H82N14O4Pt4S4-4
• Molecular Weight: 2452.43 g/mol
• Exact Mass: 2450.41
• IUPAC Name: 4-tert-butyl-2-[6-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)pyrazin-2-yl]phenol;2-tert-butyl-6-[4-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)pyrimidin-2-yl]phenol;2-[4-tert-butyl-6-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)-1,3,5-triazin-2-yl]phenol;2-[4-phenyl-6-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)-1,3,5-triazin-2-yl]phenol;platinum
• SMILES: CC(C)(C)c1ccc(O)c(-c2cncc(-c3[c-]c(Sc4ccccn4)ccc3)n2)c1.CC(C)(C)c1cccc(-c2nccc(-c3[c-]c(Sc4ccccn4)ccc3)n2)c1O.CC(C)(C)c1nc(-c2[c-]c(Sc3ccccn3)ccc2)nc(-c2ccccc2O)n1.Oc1ccccc1-c1nc(-c2[c-]c(Sc3ccccn3)ccc2)nc(-c2ccccc2)n1.[Pt].[Pt].[Pt].[Pt]
• InChI: InChI=1S/C26H17N4OS.2C25H22N3OS.C24H21N4OS.4Pt/c31-22-14-5-4-13-21(22)26-29-24(18-9-2-1-3-10-18)28-25(30-26)19-11-8-12-20(17-19)32-23-15-6-7-16-27-23;1-25(2,3)20-11-7-10-19(23(20)29)24-27-15-13-21(28-24)17-8-6-9-18(16-17)30-22-12-4-5-14-26-22;1-25(2,3)18-10-11-23(29)20(14-18)22-16-26-15-21(28-22)17-7-6-8-19(13-17)30-24-9-4-5-12-27-24;1-24(2,3)23-27-21(26-22(28-23)18-11-4-5-12-19(18)29)16-9-8-10-17(15-16)30-20-13-6-7-14-25-20;;;;/h1-16,31H;4-15,29H,1-3H3;4-12,14-16,29H,1-3H3;4-14,29H,1-3H3;;;;/q4*-1
• InChIKey: PRKUSRRQQCBIKU-UHFFFAOYSA-N
• XLogP: 23.79
• TPSA: 261.38 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 22
• Rotatable Bonds: 17
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2452.43
LogP ≤ 5	23.79
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[6-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)pyrazin-2-yl]phenol;2-tert-butyl-6-[4-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)pyrimidin-2-yl]phenol;2-[4-tert-butyl-6-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)-1,3,5-triazin-2-yl]phenol;2-[4-phenyl-6-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)-1,3,5-triazin-2-yl]phenol;platinum?

The IUPAC name of 4-tert-butyl-2-[6-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)pyrazin-2-yl]phenol;2-tert-butyl-6-[4-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)pyrimidin-2-yl]phenol;2-[4-tert-butyl-6-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)-1,3,5-triazin-2-yl]phenol;2-[4-phenyl-6-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)-1,3,5-triazin-2-yl]phenol;platinum (CID 158238954) is 4-tert-butyl-2-[6-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)pyrazin-2-yl]phenol;2-tert-butyl-6-[4-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)pyrimidin-2-yl]phenol;2-[4-tert-butyl-6-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)-1,3,5-triazin-2-yl]phenol;2-[4-phenyl-6-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)-1,3,5-triazin-2-yl]phenol;platinum.

What is the SMILES notation for 4-tert-butyl-2-[6-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)pyrazin-2-yl]phenol;2-tert-butyl-6-[4-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)pyrimidin-2-yl]phenol;2-[4-tert-butyl-6-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)-1,3,5-triazin-2-yl]phenol;2-[4-phenyl-6-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)-1,3,5-triazin-2-yl]phenol;platinum?

The canonical SMILES for 4-tert-butyl-2-[6-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)pyrazin-2-yl]phenol;2-tert-butyl-6-[4-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)pyrimidin-2-yl]phenol;2-[4-tert-butyl-6-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)-1,3,5-triazin-2-yl]phenol;2-[4-phenyl-6-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)-1,3,5-triazin-2-yl]phenol;platinum is CC(C)(C)c1ccc(O)c(-c2cncc(-c3[c-]c(Sc4ccccn4)ccc3)n2)c1.CC(C)(C)c1cccc(-c2nccc(-c3[c-]c(Sc4ccccn4)ccc3)n2)c1O.CC(C)(C)c1nc(-c2[c-]c(Sc3ccccn3)ccc2)nc(-c2ccccc2O)n1.Oc1ccccc1-c1nc(-c2[c-]c(Sc3ccccn3)ccc2)nc(-c2ccccc2)n1.[Pt].[Pt].[Pt].[Pt].

What is the InChIKey of 4-tert-butyl-2-[6-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)pyrazin-2-yl]phenol;2-tert-butyl-6-[4-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)pyrimidin-2-yl]phenol;2-[4-tert-butyl-6-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)-1,3,5-triazin-2-yl]phenol;2-[4-phenyl-6-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)-1,3,5-triazin-2-yl]phenol;platinum?

The InChIKey is PRKUSRRQQCBIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17N4OS.2C25H22N3OS.C24H21N4OS.4Pt/c31-22-14-5-4-13-21(22)26-29-24(18-9-2-1-3-10-18)28-25(30-26)19-11-8-12-20(17-19)32-23-15-6-7-16-27-23;1-25(2,3)20-11-7-10-19(23(20)29)24-27-15-13-21(28-24)17-8-6-9-18(16-17)30-22-12-4-5-14-26-22;1-25(2,3)18-10-11-23(29)20(14-18)22-16-26-15-21(28-22)17-7-6-8-19(13-17)30-24-9-4-5-12-27-24;1-24(2,3)23-27-21(26-22(28-23)18-11-4-5-12-19(18)29)16-9-8-10-17(15-16)30-20-13-6-7-14-25-20;;;;/h1-16,31H;4-15,29H,1-3H3;4-12,14-16,29H,1-3H3;4-14,29H,1-3H3;;;;/q4*-1;;;;.

What are the key properties of 4-tert-butyl-2-[6-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)pyrazin-2-yl]phenol;2-tert-butyl-6-[4-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)pyrimidin-2-yl]phenol;2-[4-tert-butyl-6-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)-1,3,5-triazin-2-yl]phenol;2-[4-phenyl-6-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)-1,3,5-triazin-2-yl]phenol;platinum?

4-tert-butyl-2-[6-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)pyrazin-2-yl]phenol;2-tert-butyl-6-[4-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)pyrimidin-2-yl]phenol;2-[4-tert-butyl-6-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)-1,3,5-triazin-2-yl]phenol;2-[4-phenyl-6-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)-1,3,5-triazin-2-yl]phenol;platinum has a molecular weight of 2452.43 g/mol, XLogP of 23.79, 17 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-2-[6-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)pyrazin-2-yl]phenol;2-tert-butyl-6-[4-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)pyrimidin-2-yl]phenol;2-[4-tert-butyl-6-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)-1,3,5-triazin-2-yl]phenol;2-[4-phenyl-6-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)-1,3,5-triazin-2-yl]phenol;platinum is sourced from PubChem (CID 158238954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).