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

C39H33FN4OPt — CID 153414831

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

9-(4-fluoro-2-pyridinyl)-2-[3-[4-(4-methyl-2,6-dipropylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153414831) has the molecular formula C39H33FN4OPt and a molecular weight of 787.80 g/mol. Its IUPAC name is 9-(4-fluoro-2-pyridinyl)-2-[3-[4-(4-methyl-2,6-dipropylphenyl)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-(4-methyl-2,6-dipropylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153414831
• Molecular Formula: C39H33FN4OPt
• Molecular Weight: 787.80 g/mol
• Exact Mass: 787.23
• IUPAC Name: 9-(4-fluoro-2-pyridinyl)-2-[3-[4-(4-methyl-2,6-dipropylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)
• SMILES: CCCc1cc(C)cc(CCC)c1-c1cnn(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(F)ccn3)ccc2)c1.[Pt+2]
• InChI: InChI=1S/C39H33FN4O.Pt/c1-4-9-27-19-26(3)20-28(10-5-2)39(27)29-24-42-43(25-29)31-11-8-12-32(22-31)45-33-15-16-35-34-13-6-7-14-36(34)44(37(35)23-33)38-21-30(40)17-18-41-38;/h6-8,11-21,24-25H,4-5,9-10H2,1-3H3;/q-2;+2
• InChIKey: TZPHGWNTVCOKLQ-UHFFFAOYSA-N
• XLogP: 9.77
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	787.80
LogP ≤ 5	9.77
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-(4-methyl-2,6-dipropylphenyl)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-(4-methyl-2,6-dipropylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) (CID 153414831) is 9-(4-fluoro-2-pyridinyl)-2-[3-[4-(4-methyl-2,6-dipropylphenyl)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-(4-methyl-2,6-dipropylphenyl)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-(4-methyl-2,6-dipropylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) is CCCc1cc(C)cc(CCC)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-(4-methyl-2,6-dipropylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)?

The InChIKey is TZPHGWNTVCOKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H33FN4O.Pt/c1-4-9-27-19-26(3)20-28(10-5-2)39(27)29-24-42-43(25-29)31-11-8-12-32(22-31)45-33-15-16-35-34-13-6-7-14-36(34)44(37(35)23-33)38-21-30(40)17-18-41-38;/h6-8,11-21,24-25H,4-5,9-10H2,1-3H3;/q-2;+2.

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

9-(4-fluoro-2-pyridinyl)-2-[3-[4-(4-methyl-2,6-dipropylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 787.80 g/mol, XLogP of 9.77, 9 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-(4-methyl-2,6-dipropylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153414831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).