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

C35H25FN4OPtS — CID 153414326

About 2-[3-[4-(2,6-dimethyl-4-methylsulfanylphenyl)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-dimethyl-4-methylsulfanylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153414326) has the molecular formula C35H25FN4OPtS and a molecular weight of 763.76 g/mol. Its IUPAC name is 2-[3-[4-(2,6-dimethyl-4-methylsulfanylphenyl)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-dimethyl-4-methylsulfanylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153414326
• Molecular Formula: C35H25FN4OPtS
• Molecular Weight: 763.76 g/mol
• Exact Mass: 763.14
• IUPAC Name: 2-[3-[4-(2,6-dimethyl-4-methylsulfanylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• SMILES: CSc1cc(C)c(-c2cnn(-c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(F)ccn4)ccc3)c2)c(C)c1.[Pt+2]
• InChI: InChI=1S/C35H25FN4OS.Pt/c1-22-15-29(42-3)16-23(2)35(22)24-20-38-39(21-24)26-7-6-8-27(18-26)41-28-11-12-31-30-9-4-5-10-32(30)40(33(31)19-28)34-17-25(36)13-14-37-34;/h4-17,20-21H,1-3H3;/q-2;+2
• InChIKey: VCZLKNCSJMIHHF-UHFFFAOYSA-N
• XLogP: 8.90
• TPSA: 44.87 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	763.76
LogP ≤ 5	8.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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-dimethyl-4-methylsulfanylphenyl)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-dimethyl-4-methylsulfanylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (CID 153414326) is 2-[3-[4-(2,6-dimethyl-4-methylsulfanylphenyl)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-dimethyl-4-methylsulfanylphenyl)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-dimethyl-4-methylsulfanylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is CSc1cc(C)c(-c2cnn(-c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(F)ccn4)ccc3)c2)c(C)c1.[Pt+2].

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

The InChIKey is VCZLKNCSJMIHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H25FN4OS.Pt/c1-22-15-29(42-3)16-23(2)35(22)24-20-38-39(21-24)26-7-6-8-27(18-26)41-28-11-12-31-30-9-4-5-10-32(30)40(33(31)19-28)34-17-25(36)13-14-37-34;/h4-17,20-21H,1-3H3;/q-2;+2.

What are the key properties of 2-[3-[4-(2,6-dimethyl-4-methylsulfanylphenyl)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-dimethyl-4-methylsulfanylphenyl)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 763.76 g/mol, XLogP of 8.90, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[4-(2,6-dimethyl-4-methylsulfanylphenyl)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 153414326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).