2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)

C29H19F3N4OPt — CID 140742611

About 2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)

2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+) (PubChem CID 140742611) has the molecular formula C29H19F3N4OPt and a molecular weight of 691.57 g/mol. Its IUPAC name is 2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 140742611
• Molecular Formula: C29H19F3N4OPt
• Molecular Weight: 691.57 g/mol
• Exact Mass: 691.12
• IUPAC Name: 2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)
• SMILES: Cc1cc(C)n(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(F)(F)F)ccn3)ccc2)n1.[Pt+2]
• InChI: InChI=1S/C29H19F3N4O.Pt/c1-18-14-19(2)36(34-18)21-6-5-7-22(16-21)37-23-10-11-25-24-8-3-4-9-26(24)35(27(25)17-23)28-15-20(12-13-33-28)29(30,31)32;/h3-15H,1-2H3;/q-2;+2
• InChIKey: XUWQMIYGOSVHSP-UHFFFAOYSA-N
• XLogP: 7.39
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	691.57
LogP ≤ 5	7.39
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-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+) (CID 140742611) is 2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+).

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

The canonical SMILES for 2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+) is Cc1cc(C)n(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(F)(F)F)ccn3)ccc2)n1.[Pt+2].

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

The InChIKey is XUWQMIYGOSVHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19F3N4O.Pt/c1-18-14-19(2)36(34-18)21-6-5-7-22(16-21)37-23-10-11-25-24-8-3-4-9-26(24)35(27(25)17-23)28-15-20(12-13-33-28)29(30,31)32;/h3-15H,1-2H3;/q-2;+2.

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

2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 691.57 g/mol, XLogP of 7.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 140742611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).