2,4-ditert-butyl-6-[6-phenyl-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)pyrimidin-4-yl]phenol;platinum

C₃₅H₃₄N₃O₂Pt- — CID 153280203

About 2,4-ditert-butyl-6-[6-phenyl-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)pyrimidin-4-yl]phenol;platinum

2,4-ditert-butyl-6-[6-phenyl-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)pyrimidin-4-yl]phenol;platinum (PubChem CID 153280203) has the molecular formula C₃₅H₃₄N₃O₂Pt- and a molecular weight of 723.75 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[6-phenyl-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)pyrimidin-4-yl]phenol;platinum.

Molecular Properties

• Compound Name: 2,4-ditert-butyl-6-[6-phenyl-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)pyrimidin-4-yl]phenol;platinum
• PubChem CID: 153280203
• Molecular Formula: C₃₅H₃₄N₃O₂Pt-
• Molecular Weight: 723.75 g/mol
• Exact Mass: 723.23
• IUPAC Name: 2,4-ditert-butyl-6-[6-phenyl-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)pyrimidin-4-yl]phenol;platinum
• SMILES: CC(C)(C)c1cc(-c2cc(-c3ccccc3)nc(-c3[c-]c(Oc4ccccn4)ccc3)n2)c(O)c(C(C)(C)C)c1.[Pt]
• InChI: InChI=1S/C35H34N3O2.Pt/c1-34(2,3)25-20-27(32(39)28(21-25)35(4,5)6)30-22-29(23-13-8-7-9-14-23)37-33(38-30)24-15-12-16-26(19-24)40-31-17-10-11-18-36-31;/h7-18,20-22,39H,1-6H3;/q-1
• InChIKey: GIRHSPHHXGAUQS-UHFFFAOYSA-N
• XLogP: 8.76
• TPSA: 68.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	723.75
LogP ≤ 5	8.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-[6-phenyl-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)pyrimidin-4-yl]phenol;platinum?

The IUPAC name of 2,4-ditert-butyl-6-[6-phenyl-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)pyrimidin-4-yl]phenol;platinum (CID 153280203) is 2,4-ditert-butyl-6-[6-phenyl-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)pyrimidin-4-yl]phenol;platinum.

What is the SMILES notation for 2,4-ditert-butyl-6-[6-phenyl-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)pyrimidin-4-yl]phenol;platinum?

The canonical SMILES for 2,4-ditert-butyl-6-[6-phenyl-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)pyrimidin-4-yl]phenol;platinum is CC(C)(C)c1cc(-c2cc(-c3ccccc3)nc(-c3[c-]c(Oc4ccccn4)ccc3)n2)c(O)c(C(C)(C)C)c1.[Pt].

What is the InChIKey of 2,4-ditert-butyl-6-[6-phenyl-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)pyrimidin-4-yl]phenol;platinum?

The InChIKey is GIRHSPHHXGAUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34N3O2.Pt/c1-34(2,3)25-20-27(32(39)28(21-25)35(4,5)6)30-22-29(23-13-8-7-9-14-23)37-33(38-30)24-15-12-16-26(19-24)40-31-17-10-11-18-36-31;/h7-18,20-22,39H,1-6H3;/q-1;.

What are the key properties of 2,4-ditert-butyl-6-[6-phenyl-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)pyrimidin-4-yl]phenol;platinum?

2,4-ditert-butyl-6-[6-phenyl-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)pyrimidin-4-yl]phenol;platinum has a molecular weight of 723.75 g/mol, XLogP of 8.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-ditert-butyl-6-[6-phenyl-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)pyrimidin-4-yl]phenol;platinum is sourced from PubChem (CID 153280203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 153280203 — identifiers, structure, computed properties (public domain)

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