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

C33H31N4OPtS- — CID 153280229

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

2-[4-(3-tert-butyl-5-pyridin-2-ylsulfanylbenzene-6-id-1-yl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]phenol;platinum (PubChem CID 153280229) has the molecular formula C33H31N4OPtS- and a molecular weight of 726.78 g/mol. Its IUPAC name is 2-[4-(3-tert-butyl-5-pyridin-2-ylsulfanylbenzene-6-id-1-yl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]phenol;platinum.

Molecular Properties

• Compound Name: 2-[4-(3-tert-butyl-5-pyridin-2-ylsulfanylbenzene-6-id-1-yl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]phenol;platinum
• PubChem CID: 153280229
• Molecular Formula: C33H31N4OPtS-
• Molecular Weight: 726.78 g/mol
• Exact Mass: 726.19
• IUPAC Name: 2-[4-(3-tert-butyl-5-pyridin-2-ylsulfanylbenzene-6-id-1-yl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]phenol;platinum
• SMILES: Cc1cc(C)c(-c2nc(-c3[c-]c(Sc4ccccn4)cc(C(C)(C)C)c3)nc(-c3ccccc3O)n2)c(C)c1.[Pt]
• InChI: InChI=1S/C33H31N4OS.Pt/c1-20-15-21(2)29(22(3)16-20)32-36-30(35-31(37-32)26-11-7-8-12-27(26)38)23-17-24(33(4,5)6)19-25(18-23)39-28-13-9-10-14-34-28;/h7-17,19,38H,1-6H3;/q-1
• InChIKey: JQCODLKDLOSLJH-UHFFFAOYSA-N
• XLogP: 8.14
• TPSA: 71.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	726.78
LogP ≤ 5	8.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 2-[4-(3-tert-butyl-5-pyridin-2-ylsulfanylbenzene-6-id-1-yl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]phenol;platinum (CID 153280229) is 2-[4-(3-tert-butyl-5-pyridin-2-ylsulfanylbenzene-6-id-1-yl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]phenol;platinum.

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

The canonical SMILES for 2-[4-(3-tert-butyl-5-pyridin-2-ylsulfanylbenzene-6-id-1-yl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]phenol;platinum is Cc1cc(C)c(-c2nc(-c3[c-]c(Sc4ccccn4)cc(C(C)(C)C)c3)nc(-c3ccccc3O)n2)c(C)c1.[Pt].

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

The InChIKey is JQCODLKDLOSLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31N4OS.Pt/c1-20-15-21(2)29(22(3)16-20)32-36-30(35-31(37-32)26-11-7-8-12-27(26)38)23-17-24(33(4,5)6)19-25(18-23)39-28-13-9-10-14-34-28;/h7-17,19,38H,1-6H3;/q-1;.

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

2-[4-(3-tert-butyl-5-pyridin-2-ylsulfanylbenzene-6-id-1-yl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]phenol;platinum has a molecular weight of 726.78 g/mol, XLogP of 8.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(3-tert-butyl-5-pyridin-2-ylsulfanylbenzene-6-id-1-yl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]phenol;platinum is sourced from PubChem (CID 153280229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).