(Z)-1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2-phenylethenol;platinum

C26H20F2N3OPt- — CID 59399212

About (Z)-1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2-phenylethenol;platinum

(Z)-1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2-phenylethenol;platinum (PubChem CID 59399212) has the molecular formula C26H20F2N3OPt- and a molecular weight of 623.54 g/mol. Its IUPAC name is (Z)-1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2-phenylethenol;platinum.

Molecular Properties

• Compound Name: (Z)-1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2-phenylethenol;platinum
• PubChem CID: 59399212
• Molecular Formula: C26H20F2N3OPt-
• Molecular Weight: 623.54 g/mol
• Exact Mass: 623.12
• IUPAC Name: (Z)-1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2-phenylethenol;platinum
• SMILES: CC(C)(c1cccc(/C(O)=C/c2ccccc2)n1)c1cccc(-c2[c-]cc(F)nc2F)n1.[Pt]
• InChI: InChI=1S/C26H20F2N3O.Pt/c1-26(2,22-12-6-10-19(29-22)18-14-15-24(27)31-25(18)28)23-13-7-11-20(30-23)21(32)16-17-8-4-3-5-9-17;/h3-13,15-16,32H,1-2H3;/q-1;/b21-16-
• InChIKey: CYNQETGWPAZRTF-PLMZOXRSSA-N
• XLogP: 6.00
• TPSA: 58.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	623.54
LogP ≤ 5	6.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2-phenylethenol;platinum?

The IUPAC name of (Z)-1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2-phenylethenol;platinum (CID 59399212) is (Z)-1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2-phenylethenol;platinum.

What is the SMILES notation for (Z)-1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2-phenylethenol;platinum?

The canonical SMILES for (Z)-1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2-phenylethenol;platinum is CC(C)(c1cccc(/C(O)=C/c2ccccc2)n1)c1cccc(-c2[c-]cc(F)nc2F)n1.[Pt].

What is the InChIKey of (Z)-1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2-phenylethenol;platinum?

The InChIKey is CYNQETGWPAZRTF-PLMZOXRSSA-N. The full InChI is InChI=1S/C26H20F2N3O.Pt/c1-26(2,22-12-6-10-19(29-22)18-14-15-24(27)31-25(18)28)23-13-7-11-20(30-23)21(32)16-17-8-4-3-5-9-17;/h3-13,15-16,32H,1-2H3;/q-1;/b21-16-;.

What are the key properties of (Z)-1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2-phenylethenol;platinum?

(Z)-1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2-phenylethenol;platinum has a molecular weight of 623.54 g/mol, XLogP of 6.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2-phenylethenol;platinum is sourced from PubChem (CID 59399212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).