2-[3-[4-(2,6-diethyl-3,4,5-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)

C39H33FN4OPt — CID 153413718

About 2-[3-[4-(2,6-diethyl-3,4,5-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)

2-[3-[4-(2,6-diethyl-3,4,5-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153413718) has the molecular formula C39H33FN4OPt and a molecular weight of 787.80 g/mol. Its IUPAC name is 2-[3-[4-(2,6-diethyl-3,4,5-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 2-[3-[4-(2,6-diethyl-3,4,5-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153413718
• Molecular Formula: C39H33FN4OPt
• Molecular Weight: 787.80 g/mol
• Exact Mass: 787.23
• IUPAC Name: 2-[3-[4-(2,6-diethyl-3,4,5-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• SMILES: CCc1c(C)c(C)c(C)c(CC)c1-c1cnn(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(F)ccn3)ccc2)c1.[Pt+2]
• InChI: InChI=1S/C39H33FN4O.Pt/c1-6-32-25(4)24(3)26(5)33(7-2)39(32)27-22-42-43(23-27)29-11-10-12-30(20-29)45-31-15-16-35-34-13-8-9-14-36(34)44(37(35)21-31)38-19-28(40)17-18-41-38;/h8-19,22-23H,6-7H2,1-5H3;/q-2;+2
• InChIKey: WNGYEBPRLUCIGU-UHFFFAOYSA-N
• XLogP: 9.61
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	787.80
LogP ≤ 5	9.61
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 2-[3-[4-(2,6-diethyl-3,4,5-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 2-[3-[4-(2,6-diethyl-3,4,5-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (CID 153413718) is 2-[3-[4-(2,6-diethyl-3,4,5-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+).

What is the SMILES notation for 2-[3-[4-(2,6-diethyl-3,4,5-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

The canonical SMILES for 2-[3-[4-(2,6-diethyl-3,4,5-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is CCc1c(C)c(C)c(C)c(CC)c1-c1cnn(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(F)ccn3)ccc2)c1.[Pt+2].

What is the InChIKey of 2-[3-[4-(2,6-diethyl-3,4,5-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

The InChIKey is WNGYEBPRLUCIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H33FN4O.Pt/c1-6-32-25(4)24(3)26(5)33(7-2)39(32)27-22-42-43(23-27)29-11-10-12-30(20-29)45-31-15-16-35-34-13-8-9-14-36(34)44(37(35)21-31)38-19-28(40)17-18-41-38;/h8-19,22-23H,6-7H2,1-5H3;/q-2;+2.

What are the key properties of 2-[3-[4-(2,6-diethyl-3,4,5-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

2-[3-[4-(2,6-diethyl-3,4,5-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 787.80 g/mol, XLogP of 9.61, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[4-(2,6-diethyl-3,4,5-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153413718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).