2-(2,4-difluorobenzene-6-id-1-yl)-6-[[6-(2,4-difluorobenzene-6-id-1-yl)-4-(N-phenylanilino)-2-pyridinyl]oxy]-N,N-diphenylpyridin-4-amine;platinum(2+)

C46H28F4N4OPt — CID 58831120

About 2-(2,4-difluorobenzene-6-id-1-yl)-6-[[6-(2,4-difluorobenzene-6-id-1-yl)-4-(N-phenylanilino)-2-pyridinyl]oxy]-N,N-diphenylpyridin-4-amine;platinum(2+)

2-(2,4-difluorobenzene-6-id-1-yl)-6-[[6-(2,4-difluorobenzene-6-id-1-yl)-4-(N-phenylanilino)-2-pyridinyl]oxy]-N,N-diphenylpyridin-4-amine;platinum(2+) (PubChem CID 58831120) has the molecular formula C46H28F4N4OPt and a molecular weight of 923.83 g/mol. Its IUPAC name is 2-(2,4-difluorobenzene-6-id-1-yl)-6-[[6-(2,4-difluorobenzene-6-id-1-yl)-4-(N-phenylanilino)-2-pyridinyl]oxy]-N,N-diphenylpyridin-4-amine;platinum(2+).

Molecular Properties

• Compound Name: 2-(2,4-difluorobenzene-6-id-1-yl)-6-[[6-(2,4-difluorobenzene-6-id-1-yl)-4-(N-phenylanilino)-2-pyridinyl]oxy]-N,N-diphenylpyridin-4-amine;platinum(2+)
• PubChem CID: 58831120
• Molecular Formula: C46H28F4N4OPt
• Molecular Weight: 923.83 g/mol
• Exact Mass: 923.18
• IUPAC Name: 2-(2,4-difluorobenzene-6-id-1-yl)-6-[[6-(2,4-difluorobenzene-6-id-1-yl)-4-(N-phenylanilino)-2-pyridinyl]oxy]-N,N-diphenylpyridin-4-amine;platinum(2+)
• SMILES: Fc1c[c-]c(-c2cc(N(c3ccccc3)c3ccccc3)cc(Oc3cc(N(c4ccccc4)c4ccccc4)cc(-c4[c-]cc(F)cc4F)n3)n2)c(F)c1.[Pt+2]
• InChI: InChI=1S/C46H28F4N4O.Pt/c47-31-21-23-39(41(49)25-31)43-27-37(53(33-13-5-1-6-14-33)34-15-7-2-8-16-34)29-45(51-43)55-46-30-38(28-44(52-46)40-24-22-32(48)26-42(40)50)54(35-17-9-3-10-18-35)36-19-11-4-12-20-36;/h1-22,25-30H;/q-2;+2
• InChIKey: KYYKKJFQAPAXSX-UHFFFAOYSA-N
• XLogP: 12.70
• TPSA: 41.49 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	923.83
LogP ≤ 5	12.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

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-difluorobenzene-6-id-1-yl)-6-[[6-(2,4-difluorobenzene-6-id-1-yl)-4-(N-phenylanilino)-2-pyridinyl]oxy]-N,N-diphenylpyridin-4-amine;platinum(2+)?

The IUPAC name of 2-(2,4-difluorobenzene-6-id-1-yl)-6-[[6-(2,4-difluorobenzene-6-id-1-yl)-4-(N-phenylanilino)-2-pyridinyl]oxy]-N,N-diphenylpyridin-4-amine;platinum(2+) (CID 58831120) is 2-(2,4-difluorobenzene-6-id-1-yl)-6-[[6-(2,4-difluorobenzene-6-id-1-yl)-4-(N-phenylanilino)-2-pyridinyl]oxy]-N,N-diphenylpyridin-4-amine;platinum(2+).

What is the SMILES notation for 2-(2,4-difluorobenzene-6-id-1-yl)-6-[[6-(2,4-difluorobenzene-6-id-1-yl)-4-(N-phenylanilino)-2-pyridinyl]oxy]-N,N-diphenylpyridin-4-amine;platinum(2+)?

The canonical SMILES for 2-(2,4-difluorobenzene-6-id-1-yl)-6-[[6-(2,4-difluorobenzene-6-id-1-yl)-4-(N-phenylanilino)-2-pyridinyl]oxy]-N,N-diphenylpyridin-4-amine;platinum(2+) is Fc1c[c-]c(-c2cc(N(c3ccccc3)c3ccccc3)cc(Oc3cc(N(c4ccccc4)c4ccccc4)cc(-c4[c-]cc(F)cc4F)n3)n2)c(F)c1.[Pt+2].

What is the InChIKey of 2-(2,4-difluorobenzene-6-id-1-yl)-6-[[6-(2,4-difluorobenzene-6-id-1-yl)-4-(N-phenylanilino)-2-pyridinyl]oxy]-N,N-diphenylpyridin-4-amine;platinum(2+)?

The InChIKey is KYYKKJFQAPAXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28F4N4O.Pt/c47-31-21-23-39(41(49)25-31)43-27-37(53(33-13-5-1-6-14-33)34-15-7-2-8-16-34)29-45(51-43)55-46-30-38(28-44(52-46)40-24-22-32(48)26-42(40)50)54(35-17-9-3-10-18-35)36-19-11-4-12-20-36;/h1-22,25-30H;/q-2;+2.

What are the key properties of 2-(2,4-difluorobenzene-6-id-1-yl)-6-[[6-(2,4-difluorobenzene-6-id-1-yl)-4-(N-phenylanilino)-2-pyridinyl]oxy]-N,N-diphenylpyridin-4-amine;platinum(2+)?

2-(2,4-difluorobenzene-6-id-1-yl)-6-[[6-(2,4-difluorobenzene-6-id-1-yl)-4-(N-phenylanilino)-2-pyridinyl]oxy]-N,N-diphenylpyridin-4-amine;platinum(2+) has a molecular weight of 923.83 g/mol, XLogP of 12.70, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,4-difluorobenzene-6-id-1-yl)-6-[[6-(2,4-difluorobenzene-6-id-1-yl)-4-(N-phenylanilino)-2-pyridinyl]oxy]-N,N-diphenylpyridin-4-amine;platinum(2+) is sourced from PubChem (CID 58831120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).