3-[1-phenyl-1-[1-[3-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]ethyl]-1-[3-(trifluoromethyl)benzene-6-id-1-yl]pyrazole;platinum(2+)

C28H18F6N4Pt — CID 58704748

About 3-[1-phenyl-1-[1-[3-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]ethyl]-1-[3-(trifluoromethyl)benzene-6-id-1-yl]pyrazole;platinum(2+)

3-[1-phenyl-1-[1-[3-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]ethyl]-1-[3-(trifluoromethyl)benzene-6-id-1-yl]pyrazole;platinum(2+) (PubChem CID 58704748) has the molecular formula C28H18F6N4Pt and a molecular weight of 719.55 g/mol. Its IUPAC name is 3-[1-phenyl-1-[1-[3-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]ethyl]-1-[3-(trifluoromethyl)benzene-6-id-1-yl]pyrazole;platinum(2+).

Molecular Properties

• Compound Name: 3-[1-phenyl-1-[1-[3-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]ethyl]-1-[3-(trifluoromethyl)benzene-6-id-1-yl]pyrazole;platinum(2+)
• PubChem CID: 58704748
• Molecular Formula: C28H18F6N4Pt
• Molecular Weight: 719.55 g/mol
• Exact Mass: 719.11
• IUPAC Name: 3-[1-phenyl-1-[1-[3-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]ethyl]-1-[3-(trifluoromethyl)benzene-6-id-1-yl]pyrazole;platinum(2+)
• SMILES: CC(c1ccccc1)(c1ccn(-c2[c-]ccc(C(F)(F)F)c2)n1)c1ccn(-c2[c-]ccc(C(F)(F)F)c2)n1.[Pt+2]
• InChI: InChI=1S/C28H18F6N4.Pt/c1-26(19-7-3-2-4-8-19,24-13-15-37(35-24)22-11-5-9-20(17-22)27(29,30)31)25-14-16-38(36-25)23-12-6-10-21(18-23)28(32,33)34;/h2-10,13-18H,1H3;/q-2;+2
• InChIKey: SWHOKFRNBCZKFI-UHFFFAOYSA-N
• XLogP: 7.05
• TPSA: 35.64 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	719.55
LogP ≤ 5	7.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[1-phenyl-1-[1-[3-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]ethyl]-1-[3-(trifluoromethyl)benzene-6-id-1-yl]pyrazole;platinum(2+)?

The IUPAC name of 3-[1-phenyl-1-[1-[3-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]ethyl]-1-[3-(trifluoromethyl)benzene-6-id-1-yl]pyrazole;platinum(2+) (CID 58704748) is 3-[1-phenyl-1-[1-[3-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]ethyl]-1-[3-(trifluoromethyl)benzene-6-id-1-yl]pyrazole;platinum(2+).

What is the SMILES notation for 3-[1-phenyl-1-[1-[3-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]ethyl]-1-[3-(trifluoromethyl)benzene-6-id-1-yl]pyrazole;platinum(2+)?

The canonical SMILES for 3-[1-phenyl-1-[1-[3-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]ethyl]-1-[3-(trifluoromethyl)benzene-6-id-1-yl]pyrazole;platinum(2+) is CC(c1ccccc1)(c1ccn(-c2[c-]ccc(C(F)(F)F)c2)n1)c1ccn(-c2[c-]ccc(C(F)(F)F)c2)n1.[Pt+2].

What is the InChIKey of 3-[1-phenyl-1-[1-[3-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]ethyl]-1-[3-(trifluoromethyl)benzene-6-id-1-yl]pyrazole;platinum(2+)?

The InChIKey is SWHOKFRNBCZKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18F6N4.Pt/c1-26(19-7-3-2-4-8-19,24-13-15-37(35-24)22-11-5-9-20(17-22)27(29,30)31)25-14-16-38(36-25)23-12-6-10-21(18-23)28(32,33)34;/h2-10,13-18H,1H3;/q-2;+2.

What are the key properties of 3-[1-phenyl-1-[1-[3-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]ethyl]-1-[3-(trifluoromethyl)benzene-6-id-1-yl]pyrazole;platinum(2+)?

3-[1-phenyl-1-[1-[3-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]ethyl]-1-[3-(trifluoromethyl)benzene-6-id-1-yl]pyrazole;platinum(2+) has a molecular weight of 719.55 g/mol, XLogP of 7.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-phenyl-1-[1-[3-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]ethyl]-1-[3-(trifluoromethyl)benzene-6-id-1-yl]pyrazole;platinum(2+) is sourced from PubChem (CID 58704748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).