2-[3-[1,1,1,3,3,3-hexafluoro-2-(3-indazol-2-ylbenzene-2-id-1-yl)propan-2-yl]benzene-2-id-1-yl]indazole;platinum(2+)

C29H16F6N4Pt — CID 58704393

About 2-[3-[1,1,1,3,3,3-hexafluoro-2-(3-indazol-2-ylbenzene-2-id-1-yl)propan-2-yl]benzene-2-id-1-yl]indazole;platinum(2+)

2-[3-[1,1,1,3,3,3-hexafluoro-2-(3-indazol-2-ylbenzene-2-id-1-yl)propan-2-yl]benzene-2-id-1-yl]indazole;platinum(2+) (PubChem CID 58704393) has the molecular formula C29H16F6N4Pt and a molecular weight of 729.54 g/mol. Its IUPAC name is 2-[3-[1,1,1,3,3,3-hexafluoro-2-(3-indazol-2-ylbenzene-2-id-1-yl)propan-2-yl]benzene-2-id-1-yl]indazole;platinum(2+).

Molecular Properties

• Compound Name: 2-[3-[1,1,1,3,3,3-hexafluoro-2-(3-indazol-2-ylbenzene-2-id-1-yl)propan-2-yl]benzene-2-id-1-yl]indazole;platinum(2+)
• PubChem CID: 58704393
• Molecular Formula: C29H16F6N4Pt
• Molecular Weight: 729.54 g/mol
• Exact Mass: 729.09
• IUPAC Name: 2-[3-[1,1,1,3,3,3-hexafluoro-2-(3-indazol-2-ylbenzene-2-id-1-yl)propan-2-yl]benzene-2-id-1-yl]indazole;platinum(2+)
• SMILES: FC(F)(F)C(c1[c-]c(-n2cc3ccccc3n2)ccc1)(c1[c-]c(-n2cc3ccccc3n2)ccc1)C(F)(F)F.[Pt+2]
• InChI: InChI=1S/C29H16F6N4.Pt/c30-28(31,32)27(29(33,34)35,21-9-5-11-23(15-21)38-17-19-7-1-3-13-25(19)36-38)22-10-6-12-24(16-22)39-18-20-8-2-4-14-26(20)37-39;/h1-14,17-18H;/q-2;+2
• InChIKey: FJPQHWXMSNCGBL-UHFFFAOYSA-N
• XLogP: 7.37
• TPSA: 35.64 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	729.54
LogP ≤ 5	7.37
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 2-[3-[1,1,1,3,3,3-hexafluoro-2-(3-indazol-2-ylbenzene-2-id-1-yl)propan-2-yl]benzene-2-id-1-yl]indazole;platinum(2+)?

The IUPAC name of 2-[3-[1,1,1,3,3,3-hexafluoro-2-(3-indazol-2-ylbenzene-2-id-1-yl)propan-2-yl]benzene-2-id-1-yl]indazole;platinum(2+) (CID 58704393) is 2-[3-[1,1,1,3,3,3-hexafluoro-2-(3-indazol-2-ylbenzene-2-id-1-yl)propan-2-yl]benzene-2-id-1-yl]indazole;platinum(2+).

What is the SMILES notation for 2-[3-[1,1,1,3,3,3-hexafluoro-2-(3-indazol-2-ylbenzene-2-id-1-yl)propan-2-yl]benzene-2-id-1-yl]indazole;platinum(2+)?

The canonical SMILES for 2-[3-[1,1,1,3,3,3-hexafluoro-2-(3-indazol-2-ylbenzene-2-id-1-yl)propan-2-yl]benzene-2-id-1-yl]indazole;platinum(2+) is FC(F)(F)C(c1[c-]c(-n2cc3ccccc3n2)ccc1)(c1[c-]c(-n2cc3ccccc3n2)ccc1)C(F)(F)F.[Pt+2].

What is the InChIKey of 2-[3-[1,1,1,3,3,3-hexafluoro-2-(3-indazol-2-ylbenzene-2-id-1-yl)propan-2-yl]benzene-2-id-1-yl]indazole;platinum(2+)?

The InChIKey is FJPQHWXMSNCGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H16F6N4.Pt/c30-28(31,32)27(29(33,34)35,21-9-5-11-23(15-21)38-17-19-7-1-3-13-25(19)36-38)22-10-6-12-24(16-22)39-18-20-8-2-4-14-26(20)37-39;/h1-14,17-18H;/q-2;+2.

What are the key properties of 2-[3-[1,1,1,3,3,3-hexafluoro-2-(3-indazol-2-ylbenzene-2-id-1-yl)propan-2-yl]benzene-2-id-1-yl]indazole;platinum(2+)?

2-[3-[1,1,1,3,3,3-hexafluoro-2-(3-indazol-2-ylbenzene-2-id-1-yl)propan-2-yl]benzene-2-id-1-yl]indazole;platinum(2+) has a molecular weight of 729.54 g/mol, XLogP of 7.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[1,1,1,3,3,3-hexafluoro-2-(3-indazol-2-ylbenzene-2-id-1-yl)propan-2-yl]benzene-2-id-1-yl]indazole;platinum(2+) is sourced from PubChem (CID 58704393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).