9-(4-fluoro-2-pyridinyl)-2-[3-[4-(2-methyl-6-propylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)

C36H27FN4OPt — CID 153412949

About 9-(4-fluoro-2-pyridinyl)-2-[3-[4-(2-methyl-6-propylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)

9-(4-fluoro-2-pyridinyl)-2-[3-[4-(2-methyl-6-propylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153412949) has the molecular formula C36H27FN4OPt and a molecular weight of 745.72 g/mol. Its IUPAC name is 9-(4-fluoro-2-pyridinyl)-2-[3-[4-(2-methyl-6-propylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 9-(4-fluoro-2-pyridinyl)-2-[3-[4-(2-methyl-6-propylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153412949
• Molecular Formula: C36H27FN4OPt
• Molecular Weight: 745.72 g/mol
• Exact Mass: 745.18
• IUPAC Name: 9-(4-fluoro-2-pyridinyl)-2-[3-[4-(2-methyl-6-propylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)
• SMILES: CCCc1cccc(C)c1-c1cnn(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(F)ccn3)ccc2)c1.[Pt+2]
• InChI: InChI=1S/C36H27FN4O.Pt/c1-3-8-25-10-6-9-24(2)36(25)26-22-39-40(23-26)28-11-7-12-29(20-28)42-30-15-16-32-31-13-4-5-14-33(31)41(34(32)21-30)35-19-27(37)17-18-38-35;/h4-7,9-19,22-23H,3,8H2,1-2H3;/q-2;+2
• InChIKey: XWZPYQNQSBUGOQ-UHFFFAOYSA-N
• XLogP: 8.82
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	745.72
LogP ≤ 5	8.82
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-(4-fluoro-2-pyridinyl)-2-[3-[4-(2-methyl-6-propylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 9-(4-fluoro-2-pyridinyl)-2-[3-[4-(2-methyl-6-propylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) (CID 153412949) is 9-(4-fluoro-2-pyridinyl)-2-[3-[4-(2-methyl-6-propylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+).

What is the SMILES notation for 9-(4-fluoro-2-pyridinyl)-2-[3-[4-(2-methyl-6-propylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)?

The canonical SMILES for 9-(4-fluoro-2-pyridinyl)-2-[3-[4-(2-methyl-6-propylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) is CCCc1cccc(C)c1-c1cnn(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(F)ccn3)ccc2)c1.[Pt+2].

What is the InChIKey of 9-(4-fluoro-2-pyridinyl)-2-[3-[4-(2-methyl-6-propylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)?

The InChIKey is XWZPYQNQSBUGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H27FN4O.Pt/c1-3-8-25-10-6-9-24(2)36(25)26-22-39-40(23-26)28-11-7-12-29(20-28)42-30-15-16-32-31-13-4-5-14-33(31)41(34(32)21-30)35-19-27(37)17-18-38-35;/h4-7,9-19,22-23H,3,8H2,1-2H3;/q-2;+2.

What are the key properties of 9-(4-fluoro-2-pyridinyl)-2-[3-[4-(2-methyl-6-propylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)?

9-(4-fluoro-2-pyridinyl)-2-[3-[4-(2-methyl-6-propylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 745.72 g/mol, XLogP of 8.82, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-fluoro-2-pyridinyl)-2-[3-[4-(2-methyl-6-propylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153412949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).