3-[[6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-diphenylmethyl]-2,6-difluorobenzene-4-ide-1-carbonitrile;platinum(2+)

C40H24F7N3Pt — CID 59645898

About 3-[[6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-diphenylmethyl]-2,6-difluorobenzene-4-ide-1-carbonitrile;platinum(2+)

3-[[6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-diphenylmethyl]-2,6-difluorobenzene-4-ide-1-carbonitrile;platinum(2+) (PubChem CID 59645898) has the molecular formula C40H24F7N3Pt and a molecular weight of 874.72 g/mol. Its IUPAC name is 3-[[6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-diphenylmethyl]-2,6-difluorobenzene-4-ide-1-carbonitrile;platinum(2+).

Molecular Properties

• Compound Name: 3-[[6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-diphenylmethyl]-2,6-difluorobenzene-4-ide-1-carbonitrile;platinum(2+)
• PubChem CID: 59645898
• Molecular Formula: C40H24F7N3Pt
• Molecular Weight: 874.72 g/mol
• Exact Mass: 874.15
• IUPAC Name: 3-[[6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-diphenylmethyl]-2,6-difluorobenzene-4-ide-1-carbonitrile;platinum(2+)
• SMILES: CC(C)(c1cccc(-c2[c-]cc(F)c(C(F)(F)F)c2F)n1)c1cccc(C(c2ccccc2)(c2ccccc2)c2[c-]cc(F)c(C#N)c2F)n1.[Pt+2]
• InChI: InChI=1S/C40H24F7N3.Pt/c1-38(2,32-16-9-15-31(49-32)26-19-21-30(42)35(37(26)44)40(45,46)47)33-17-10-18-34(50-33)39(24-11-5-3-6-12-24,25-13-7-4-8-14-25)28-20-22-29(41)27(23-48)36(28)43;/h3-18,21-22H,1-2H3;/q-2;+2
• InChIKey: LAXOFCNVBVSCAG-UHFFFAOYSA-N
• XLogP: 9.90
• TPSA: 49.57 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	874.72
LogP ≤ 5	9.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[[6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-diphenylmethyl]-2,6-difluorobenzene-4-ide-1-carbonitrile;platinum(2+)?

The IUPAC name of 3-[[6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-diphenylmethyl]-2,6-difluorobenzene-4-ide-1-carbonitrile;platinum(2+) (CID 59645898) is 3-[[6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-diphenylmethyl]-2,6-difluorobenzene-4-ide-1-carbonitrile;platinum(2+).

What is the SMILES notation for 3-[[6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-diphenylmethyl]-2,6-difluorobenzene-4-ide-1-carbonitrile;platinum(2+)?

The canonical SMILES for 3-[[6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-diphenylmethyl]-2,6-difluorobenzene-4-ide-1-carbonitrile;platinum(2+) is CC(C)(c1cccc(-c2[c-]cc(F)c(C(F)(F)F)c2F)n1)c1cccc(C(c2ccccc2)(c2ccccc2)c2[c-]cc(F)c(C#N)c2F)n1.[Pt+2].

What is the InChIKey of 3-[[6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-diphenylmethyl]-2,6-difluorobenzene-4-ide-1-carbonitrile;platinum(2+)?

The InChIKey is LAXOFCNVBVSCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24F7N3.Pt/c1-38(2,32-16-9-15-31(49-32)26-19-21-30(42)35(37(26)44)40(45,46)47)33-17-10-18-34(50-33)39(24-11-5-3-6-12-24,25-13-7-4-8-14-25)28-20-22-29(41)27(23-48)36(28)43;/h3-18,21-22H,1-2H3;/q-2;+2.

What are the key properties of 3-[[6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-diphenylmethyl]-2,6-difluorobenzene-4-ide-1-carbonitrile;platinum(2+)?

3-[[6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-diphenylmethyl]-2,6-difluorobenzene-4-ide-1-carbonitrile;platinum(2+) has a molecular weight of 874.72 g/mol, XLogP of 9.90, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-diphenylmethyl]-2,6-difluorobenzene-4-ide-1-carbonitrile;platinum(2+) is sourced from PubChem (CID 59645898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).