2-[4-(2,6-dimethyl-4-pyridinyl)-6-(3-phenyl-5-pyridin-2-ylsulfanylbenzene-6-id-1-yl)-1,3,5-triazin-2-yl]phenol;platinum

C33H24N5OPtS- — CID 153280219

About 2-[4-(2,6-dimethyl-4-pyridinyl)-6-(3-phenyl-5-pyridin-2-ylsulfanylbenzene-6-id-1-yl)-1,3,5-triazin-2-yl]phenol;platinum

2-[4-(2,6-dimethyl-4-pyridinyl)-6-(3-phenyl-5-pyridin-2-ylsulfanylbenzene-6-id-1-yl)-1,3,5-triazin-2-yl]phenol;platinum (PubChem CID 153280219) has the molecular formula C33H24N5OPtS- and a molecular weight of 733.73 g/mol. Its IUPAC name is 2-[4-(2,6-dimethyl-4-pyridinyl)-6-(3-phenyl-5-pyridin-2-ylsulfanylbenzene-6-id-1-yl)-1,3,5-triazin-2-yl]phenol;platinum.

Molecular Properties

• Compound Name: 2-[4-(2,6-dimethyl-4-pyridinyl)-6-(3-phenyl-5-pyridin-2-ylsulfanylbenzene-6-id-1-yl)-1,3,5-triazin-2-yl]phenol;platinum
• PubChem CID: 153280219
• Molecular Formula: C33H24N5OPtS-
• Molecular Weight: 733.73 g/mol
• Exact Mass: 733.14
• IUPAC Name: 2-[4-(2,6-dimethyl-4-pyridinyl)-6-(3-phenyl-5-pyridin-2-ylsulfanylbenzene-6-id-1-yl)-1,3,5-triazin-2-yl]phenol;platinum
• SMILES: Cc1cc(-c2nc(-c3[c-]c(Sc4ccccn4)cc(-c4ccccc4)c3)nc(-c3ccccc3O)n2)cc(C)n1.[Pt]
• InChI: InChI=1S/C33H24N5OS.Pt/c1-21-16-25(17-22(2)35-21)31-36-32(38-33(37-31)28-12-6-7-13-29(28)39)26-18-24(23-10-4-3-5-11-23)19-27(20-26)40-30-14-8-9-15-34-30;/h3-19,39H,1-2H3;/q-1
• InChIKey: UCADAPIMKDBTIA-UHFFFAOYSA-N
• XLogP: 7.60
• TPSA: 84.68 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	733.73
LogP ≤ 5	7.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 2-[4-(2,6-dimethyl-4-pyridinyl)-6-(3-phenyl-5-pyridin-2-ylsulfanylbenzene-6-id-1-yl)-1,3,5-triazin-2-yl]phenol;platinum (CID 153280219) is 2-[4-(2,6-dimethyl-4-pyridinyl)-6-(3-phenyl-5-pyridin-2-ylsulfanylbenzene-6-id-1-yl)-1,3,5-triazin-2-yl]phenol;platinum.

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

The canonical SMILES for 2-[4-(2,6-dimethyl-4-pyridinyl)-6-(3-phenyl-5-pyridin-2-ylsulfanylbenzene-6-id-1-yl)-1,3,5-triazin-2-yl]phenol;platinum is Cc1cc(-c2nc(-c3[c-]c(Sc4ccccn4)cc(-c4ccccc4)c3)nc(-c3ccccc3O)n2)cc(C)n1.[Pt].

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

The InChIKey is UCADAPIMKDBTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24N5OS.Pt/c1-21-16-25(17-22(2)35-21)31-36-32(38-33(37-31)28-12-6-7-13-29(28)39)26-18-24(23-10-4-3-5-11-23)19-27(20-26)40-30-14-8-9-15-34-30;/h3-19,39H,1-2H3;/q-1;.

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

2-[4-(2,6-dimethyl-4-pyridinyl)-6-(3-phenyl-5-pyridin-2-ylsulfanylbenzene-6-id-1-yl)-1,3,5-triazin-2-yl]phenol;platinum has a molecular weight of 733.73 g/mol, XLogP of 7.60, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(2,6-dimethyl-4-pyridinyl)-6-(3-phenyl-5-pyridin-2-ylsulfanylbenzene-6-id-1-yl)-1,3,5-triazin-2-yl]phenol;platinum is sourced from PubChem (CID 153280219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).