2-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-6-[1-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]cyclohexyl]pyridine;platinum(2+)

C27H18F8N4Pt — CID 58004353

About 2-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-6-[1-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]cyclohexyl]pyridine;platinum(2+)

2-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-6-[1-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]cyclohexyl]pyridine;platinum(2+) (PubChem CID 58004353) has the molecular formula C27H18F8N4Pt and a molecular weight of 745.53 g/mol. Its IUPAC name is 2-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-6-[1-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]cyclohexyl]pyridine;platinum(2+).

Molecular Properties

• Compound Name: 2-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-6-[1-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]cyclohexyl]pyridine;platinum(2+)
• PubChem CID: 58004353
• Molecular Formula: C27H18F8N4Pt
• Molecular Weight: 745.53 g/mol
• Exact Mass: 745.11
• IUPAC Name: 2-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-6-[1-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]cyclohexyl]pyridine;platinum(2+)
• SMILES: Fc1c[c-]c(-c2cccc(C3(c4cccc(-c5cc(C(F)(F)F)n[n-]5)n4)CCCCC3)n2)c(F)c1C(F)(F)F.[Pt+2]
• InChI: InChI=1S/C27H18F8N4.Pt/c28-16-11-10-15(24(29)23(16)27(33,34)35)17-6-4-8-20(36-17)25(12-2-1-3-13-25)21-9-5-7-18(37-21)19-14-22(39-38-19)26(30,31)32;/h4-9,11,14H,1-3,12-13H2;/q-2;+2
• InChIKey: GMFRNXCDENRNQP-UHFFFAOYSA-N
• XLogP: 7.53
• TPSA: 52.77 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	745.53
LogP ≤ 5	7.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-6-[1-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]cyclohexyl]pyridine;platinum(2+)?

The IUPAC name of 2-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-6-[1-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]cyclohexyl]pyridine;platinum(2+) (CID 58004353) is 2-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-6-[1-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]cyclohexyl]pyridine;platinum(2+).

What is the SMILES notation for 2-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-6-[1-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]cyclohexyl]pyridine;platinum(2+)?

The canonical SMILES for 2-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-6-[1-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]cyclohexyl]pyridine;platinum(2+) is Fc1c[c-]c(-c2cccc(C3(c4cccc(-c5cc(C(F)(F)F)n[n-]5)n4)CCCCC3)n2)c(F)c1C(F)(F)F.[Pt+2].

What is the InChIKey of 2-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-6-[1-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]cyclohexyl]pyridine;platinum(2+)?

The InChIKey is GMFRNXCDENRNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18F8N4.Pt/c28-16-11-10-15(24(29)23(16)27(33,34)35)17-6-4-8-20(36-17)25(12-2-1-3-13-25)21-9-5-7-18(37-21)19-14-22(39-38-19)26(30,31)32;/h4-9,11,14H,1-3,12-13H2;/q-2;+2.

What are the key properties of 2-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-6-[1-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]cyclohexyl]pyridine;platinum(2+)?

2-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-6-[1-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]cyclohexyl]pyridine;platinum(2+) has a molecular weight of 745.53 g/mol, XLogP of 7.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-6-[1-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]cyclohexyl]pyridine;platinum(2+) is sourced from PubChem (CID 58004353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).