2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-[9-[6-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]fluoren-9-yl]pyridine;platinum

C31H20F3N6Pt- — CID 58435396

About 2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-[9-[6-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]fluoren-9-yl]pyridine;platinum

2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-[9-[6-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]fluoren-9-yl]pyridine;platinum (PubChem CID 58435396) has the molecular formula C31H20F3N6Pt- and a molecular weight of 728.62 g/mol. Its IUPAC name is 2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-[9-[6-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]fluoren-9-yl]pyridine;platinum.

Molecular Properties

• Compound Name: 2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-[9-[6-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]fluoren-9-yl]pyridine;platinum
• PubChem CID: 58435396
• Molecular Formula: C31H20F3N6Pt-
• Molecular Weight: 728.62 g/mol
• Exact Mass: 728.14
• IUPAC Name: 2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-[9-[6-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]fluoren-9-yl]pyridine;platinum
• SMILES: Cc1c[c-]n(-c2cccc(C3(c4cccc(-n5cc(C(F)(F)F)cn5)n4)c4ccccc4-c4ccccc43)n2)n1.[Pt]
• InChI: InChI=1S/C31H20F3N6.Pt/c1-20-16-17-39(38-20)28-14-6-12-26(36-28)30(24-10-4-2-8-22(24)23-9-3-5-11-25(23)30)27-13-7-15-29(37-27)40-19-21(18-35-40)31(32,33)34;/h2-16,18-19H,1H3;/q-1
• InChIKey: MEJPPZRWWHDNBY-UHFFFAOYSA-N
• XLogP: 6.34
• TPSA: 61.42 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	728.62
LogP ≤ 5	6.34
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-methyl-5H-pyrazol-5-id-1-yl)-6-[9-[6-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]fluoren-9-yl]pyridine;platinum?

The IUPAC name of 2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-[9-[6-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]fluoren-9-yl]pyridine;platinum (CID 58435396) is 2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-[9-[6-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]fluoren-9-yl]pyridine;platinum.

What is the SMILES notation for 2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-[9-[6-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]fluoren-9-yl]pyridine;platinum?

The canonical SMILES for 2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-[9-[6-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]fluoren-9-yl]pyridine;platinum is Cc1c[c-]n(-c2cccc(C3(c4cccc(-n5cc(C(F)(F)F)cn5)n4)c4ccccc4-c4ccccc43)n2)n1.[Pt].

What is the InChIKey of 2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-[9-[6-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]fluoren-9-yl]pyridine;platinum?

The InChIKey is MEJPPZRWWHDNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H20F3N6.Pt/c1-20-16-17-39(38-20)28-14-6-12-26(36-28)30(24-10-4-2-8-22(24)23-9-3-5-11-25(23)30)27-13-7-15-29(37-27)40-19-21(18-35-40)31(32,33)34;/h2-16,18-19H,1H3;/q-1;.

What are the key properties of 2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-[9-[6-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]fluoren-9-yl]pyridine;platinum?

2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-[9-[6-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]fluoren-9-yl]pyridine;platinum has a molecular weight of 728.62 g/mol, XLogP of 6.34, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-[9-[6-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]fluoren-9-yl]pyridine;platinum is sourced from PubChem (CID 58435396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).