platinum;2-[2-[6-(2,3,4-trifluoro-5-pyridin-2-ylbenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]phenol

C25H18F3N2OPt- — CID 58004243

About platinum;2-[2-[6-(2,3,4-trifluoro-5-pyridin-2-ylbenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]phenol

platinum;2-[2-[6-(2,3,4-trifluoro-5-pyridin-2-ylbenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]phenol (PubChem CID 58004243) has the molecular formula C25H18F3N2OPt- and a molecular weight of 614.50 g/mol. Its IUPAC name is platinum;2-[2-[6-(2,3,4-trifluoro-5-pyridin-2-ylbenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]phenol.

Molecular Properties

• Compound Name: platinum;2-[2-[6-(2,3,4-trifluoro-5-pyridin-2-ylbenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]phenol
• PubChem CID: 58004243
• Molecular Formula: C25H18F3N2OPt-
• Molecular Weight: 614.50 g/mol
• Exact Mass: 614.10
• IUPAC Name: platinum;2-[2-[6-(2,3,4-trifluoro-5-pyridin-2-ylbenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]phenol
• SMILES: CC(C)(c1cccc(-c2[c-]c(-c3ccccn3)c(F)c(F)c2F)n1)c1ccccc1O.[Pt]
• InChI: InChI=1S/C25H18F3N2O.Pt/c1-25(2,17-8-3-4-11-20(17)31)21-12-7-10-19(30-21)16-14-15(18-9-5-6-13-29-18)22(26)24(28)23(16)27;/h3-13,31H,1-2H3;/q-1
• InChIKey: JWATWGXTPCDEOX-UHFFFAOYSA-N
• XLogP: 6.06
• TPSA: 46.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	614.50
LogP ≤ 5	6.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of platinum;2-[2-[6-(2,3,4-trifluoro-5-pyridin-2-ylbenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]phenol?

The IUPAC name of platinum;2-[2-[6-(2,3,4-trifluoro-5-pyridin-2-ylbenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]phenol (CID 58004243) is platinum;2-[2-[6-(2,3,4-trifluoro-5-pyridin-2-ylbenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]phenol.

What is the SMILES notation for platinum;2-[2-[6-(2,3,4-trifluoro-5-pyridin-2-ylbenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]phenol?

The canonical SMILES for platinum;2-[2-[6-(2,3,4-trifluoro-5-pyridin-2-ylbenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]phenol is CC(C)(c1cccc(-c2[c-]c(-c3ccccn3)c(F)c(F)c2F)n1)c1ccccc1O.[Pt].

What is the InChIKey of platinum;2-[2-[6-(2,3,4-trifluoro-5-pyridin-2-ylbenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]phenol?

The InChIKey is JWATWGXTPCDEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F3N2O.Pt/c1-25(2,17-8-3-4-11-20(17)31)21-12-7-10-19(30-21)16-14-15(18-9-5-6-13-29-18)22(26)24(28)23(16)27;/h3-13,31H,1-2H3;/q-1;.

What are the key properties of platinum;2-[2-[6-(2,3,4-trifluoro-5-pyridin-2-ylbenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]phenol?

platinum;2-[2-[6-(2,3,4-trifluoro-5-pyridin-2-ylbenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]phenol has a molecular weight of 614.50 g/mol, XLogP of 6.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for platinum;2-[2-[6-(2,3,4-trifluoro-5-pyridin-2-ylbenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]phenol is sourced from PubChem (CID 58004243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).