[6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-4-(N-phenylanilino)-2-pyridinyl]propan-2-yl]-4-(N-phenylanilino)pyridine-2-carbonyl]-(trifluoromethyl)azanide;platinum(2+)

C45H32F5N5OPt — CID 58831105

About [6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-4-(N-phenylanilino)-2-pyridinyl]propan-2-yl]-4-(N-phenylanilino)pyridine-2-carbonyl]-(trifluoromethyl)azanide;platinum(2+)

[6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-4-(N-phenylanilino)-2-pyridinyl]propan-2-yl]-4-(N-phenylanilino)pyridine-2-carbonyl]-(trifluoromethyl)azanide;platinum(2+) (PubChem CID 58831105) has the molecular formula C45H32F5N5OPt and a molecular weight of 948.85 g/mol. Its IUPAC name is [6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-4-(N-phenylanilino)-2-pyridinyl]propan-2-yl]-4-(N-phenylanilino)pyridine-2-carbonyl]-(trifluoromethyl)azanide;platinum(2+).

Molecular Properties

• Compound Name: [6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-4-(N-phenylanilino)-2-pyridinyl]propan-2-yl]-4-(N-phenylanilino)pyridine-2-carbonyl]-(trifluoromethyl)azanide;platinum(2+)
• PubChem CID: 58831105
• Molecular Formula: C45H32F5N5OPt
• Molecular Weight: 948.85 g/mol
• Exact Mass: 948.22
• IUPAC Name: [6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-4-(N-phenylanilino)-2-pyridinyl]propan-2-yl]-4-(N-phenylanilino)pyridine-2-carbonyl]-(trifluoromethyl)azanide;platinum(2+)
• SMILES: CC(C)(c1cc(N(c2ccccc2)c2ccccc2)cc(C(=O)[N-]C(F)(F)F)n1)c1cc(N(c2ccccc2)c2ccccc2)cc(-c2[c-]cc(F)cc2F)n1.[Pt+2]
• InChI: InChI=1S/C45H33F5N5O.Pt/c1-44(2,42-29-36(27-40(52-42)43(56)53-45(48,49)50)55(33-19-11-5-12-20-33)34-21-13-6-14-22-34)41-28-35(26-39(51-41)37-24-23-30(46)25-38(37)47)54(31-15-7-3-8-16-31)32-17-9-4-10-18-32;/h3-23,25-29H,1-2H3,(H,53,56);/q-1;+2/p-1
• InChIKey: PVPWASPHIXGCJL-UHFFFAOYSA-M
• XLogP: 12.52
• TPSA: 63.43 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	948.85
LogP ≤ 5	12.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-4-(N-phenylanilino)-2-pyridinyl]propan-2-yl]-4-(N-phenylanilino)pyridine-2-carbonyl]-(trifluoromethyl)azanide;platinum(2+)?

The IUPAC name of [6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-4-(N-phenylanilino)-2-pyridinyl]propan-2-yl]-4-(N-phenylanilino)pyridine-2-carbonyl]-(trifluoromethyl)azanide;platinum(2+) (CID 58831105) is [6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-4-(N-phenylanilino)-2-pyridinyl]propan-2-yl]-4-(N-phenylanilino)pyridine-2-carbonyl]-(trifluoromethyl)azanide;platinum(2+).

What is the SMILES notation for [6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-4-(N-phenylanilino)-2-pyridinyl]propan-2-yl]-4-(N-phenylanilino)pyridine-2-carbonyl]-(trifluoromethyl)azanide;platinum(2+)?

The canonical SMILES for [6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-4-(N-phenylanilino)-2-pyridinyl]propan-2-yl]-4-(N-phenylanilino)pyridine-2-carbonyl]-(trifluoromethyl)azanide;platinum(2+) is CC(C)(c1cc(N(c2ccccc2)c2ccccc2)cc(C(=O)[N-]C(F)(F)F)n1)c1cc(N(c2ccccc2)c2ccccc2)cc(-c2[c-]cc(F)cc2F)n1.[Pt+2].

What is the InChIKey of [6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-4-(N-phenylanilino)-2-pyridinyl]propan-2-yl]-4-(N-phenylanilino)pyridine-2-carbonyl]-(trifluoromethyl)azanide;platinum(2+)?

The InChIKey is PVPWASPHIXGCJL-UHFFFAOYSA-M. The full InChI is InChI=1S/C45H33F5N5O.Pt/c1-44(2,42-29-36(27-40(52-42)43(56)53-45(48,49)50)55(33-19-11-5-12-20-33)34-21-13-6-14-22-34)41-28-35(26-39(51-41)37-24-23-30(46)25-38(37)47)54(31-15-7-3-8-16-31)32-17-9-4-10-18-32;/h3-23,25-29H,1-2H3,(H,53,56);/q-1;+2/p-1.

What are the key properties of [6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-4-(N-phenylanilino)-2-pyridinyl]propan-2-yl]-4-(N-phenylanilino)pyridine-2-carbonyl]-(trifluoromethyl)azanide;platinum(2+)?

[6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-4-(N-phenylanilino)-2-pyridinyl]propan-2-yl]-4-(N-phenylanilino)pyridine-2-carbonyl]-(trifluoromethyl)azanide;platinum(2+) has a molecular weight of 948.85 g/mol, XLogP of 12.52, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-4-(N-phenylanilino)-2-pyridinyl]propan-2-yl]-4-(N-phenylanilino)pyridine-2-carbonyl]-(trifluoromethyl)azanide;platinum(2+) is sourced from PubChem (CID 58831105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).