9-(5-fluoro-2-pyridinyl)-2-[3-(3-phenyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum

C32H20FN4OPt-3 — CID 169021311

About 9-(5-fluoro-2-pyridinyl)-2-[3-(3-phenyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum

9-(5-fluoro-2-pyridinyl)-2-[3-(3-phenyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (PubChem CID 169021311) has the molecular formula C32H20FN4OPt-3 and a molecular weight of 690.62 g/mol. Its IUPAC name is 9-(5-fluoro-2-pyridinyl)-2-[3-(3-phenyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 9-(5-fluoro-2-pyridinyl)-2-[3-(3-phenyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• PubChem CID: 169021311
• Molecular Formula: C32H20FN4OPt-3
• Molecular Weight: 690.62 g/mol
• Exact Mass: 690.13
• IUPAC Name: 9-(5-fluoro-2-pyridinyl)-2-[3-(3-phenyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• SMILES: Fc1ccc(-n2c3[c-]c(Oc4[c-]c(N5C=CN(c6ccccc6)[CH-]5)ccc4)ccc3c3ccccc32)nc1.[Pt]
• InChI: InChI=1S/C32H20FN4O.Pt/c33-23-13-16-32(34-21-23)37-30-12-5-4-11-28(30)29-15-14-27(20-31(29)37)38-26-10-6-9-25(19-26)36-18-17-35(22-36)24-7-2-1-3-8-24;/h1-18,21-22H;/q-3
• InChIKey: SMUMSDFSZDICKT-UHFFFAOYSA-N
• XLogP: 7.63
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	690.62
LogP ≤ 5	7.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-(5-fluoro-2-pyridinyl)-2-[3-(3-phenyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

The IUPAC name of 9-(5-fluoro-2-pyridinyl)-2-[3-(3-phenyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (CID 169021311) is 9-(5-fluoro-2-pyridinyl)-2-[3-(3-phenyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum.

What is the SMILES notation for 9-(5-fluoro-2-pyridinyl)-2-[3-(3-phenyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

The canonical SMILES for 9-(5-fluoro-2-pyridinyl)-2-[3-(3-phenyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is Fc1ccc(-n2c3[c-]c(Oc4[c-]c(N5C=CN(c6ccccc6)[CH-]5)ccc4)ccc3c3ccccc32)nc1.[Pt].

What is the InChIKey of 9-(5-fluoro-2-pyridinyl)-2-[3-(3-phenyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

The InChIKey is SMUMSDFSZDICKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20FN4O.Pt/c33-23-13-16-32(34-21-23)37-30-12-5-4-11-28(30)29-15-14-27(20-31(29)37)38-26-10-6-9-25(19-26)36-18-17-35(22-36)24-7-2-1-3-8-24;/h1-18,21-22H;/q-3;.

What are the key properties of 9-(5-fluoro-2-pyridinyl)-2-[3-(3-phenyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

9-(5-fluoro-2-pyridinyl)-2-[3-(3-phenyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum has a molecular weight of 690.62 g/mol, XLogP of 7.63, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(5-fluoro-2-pyridinyl)-2-[3-(3-phenyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 169021311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).