(Z)-2-anthracen-9-yl-1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]ethenol;platinum

C34H24F2N3OPt- — CID 59399223

About (Z)-2-anthracen-9-yl-1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]ethenol;platinum

(Z)-2-anthracen-9-yl-1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]ethenol;platinum (PubChem CID 59399223) has the molecular formula C34H24F2N3OPt- and a molecular weight of 723.66 g/mol. Its IUPAC name is (Z)-2-anthracen-9-yl-1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]ethenol;platinum.

Molecular Properties

• Compound Name: (Z)-2-anthracen-9-yl-1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]ethenol;platinum
• PubChem CID: 59399223
• Molecular Formula: C34H24F2N3OPt-
• Molecular Weight: 723.66 g/mol
• Exact Mass: 723.15
• IUPAC Name: (Z)-2-anthracen-9-yl-1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]ethenol;platinum
• SMILES: CC(C)(c1cccc(/C(O)=C/c2c3ccccc3cc3ccccc23)n1)c1cccc(-c2[c-]cc(F)nc2F)n1.[Pt]
• InChI: InChI=1S/C34H24F2N3O.Pt/c1-34(2,30-15-7-13-27(37-30)25-17-18-32(35)39-33(25)36)31-16-8-14-28(38-31)29(40)20-26-23-11-5-3-9-21(23)19-22-10-4-6-12-24(22)26;/h3-16,18-20,40H,1-2H3;/q-1;/b29-20-
• InChIKey: VYJSHUYQAICFPU-XVSWSKOJSA-N
• XLogP: 8.30
• TPSA: 58.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	723.66
LogP ≤ 5	8.30
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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (Z)-2-anthracen-9-yl-1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]ethenol;platinum?

The IUPAC name of (Z)-2-anthracen-9-yl-1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]ethenol;platinum (CID 59399223) is (Z)-2-anthracen-9-yl-1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]ethenol;platinum.

What is the SMILES notation for (Z)-2-anthracen-9-yl-1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]ethenol;platinum?

The canonical SMILES for (Z)-2-anthracen-9-yl-1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]ethenol;platinum is CC(C)(c1cccc(/C(O)=C/c2c3ccccc3cc3ccccc23)n1)c1cccc(-c2[c-]cc(F)nc2F)n1.[Pt].

What is the InChIKey of (Z)-2-anthracen-9-yl-1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]ethenol;platinum?

The InChIKey is VYJSHUYQAICFPU-XVSWSKOJSA-N. The full InChI is InChI=1S/C34H24F2N3O.Pt/c1-34(2,30-15-7-13-27(37-30)25-17-18-32(35)39-33(25)36)31-16-8-14-28(38-31)29(40)20-26-23-11-5-3-9-21(23)19-22-10-4-6-12-24(22)26;/h3-16,18-20,40H,1-2H3;/q-1;/b29-20-;.

What are the key properties of (Z)-2-anthracen-9-yl-1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]ethenol;platinum?

(Z)-2-anthracen-9-yl-1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]ethenol;platinum has a molecular weight of 723.66 g/mol, XLogP of 8.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-2-anthracen-9-yl-1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]ethenol;platinum is sourced from PubChem (CID 59399223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).