2-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-4-(N-phenylanilino)-2-pyridinyl]propan-2-yl]-N,N-diphenyl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-4-amine;platinum(2+)

C47H33F5N6Pt — CID 58831134

About 2-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-4-(N-phenylanilino)-2-pyridinyl]propan-2-yl]-N,N-diphenyl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-4-amine;platinum(2+)

2-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-4-(N-phenylanilino)-2-pyridinyl]propan-2-yl]-N,N-diphenyl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-4-amine;platinum(2+) (PubChem CID 58831134) has the molecular formula C47H33F5N6Pt and a molecular weight of 971.89 g/mol. Its IUPAC name is 2-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-4-(N-phenylanilino)-2-pyridinyl]propan-2-yl]-N,N-diphenyl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-4-amine;platinum(2+).

Molecular Properties

• Compound Name: 2-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-4-(N-phenylanilino)-2-pyridinyl]propan-2-yl]-N,N-diphenyl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-4-amine;platinum(2+)
• PubChem CID: 58831134
• Molecular Formula: C47H33F5N6Pt
• Molecular Weight: 971.89 g/mol
• Exact Mass: 971.23
• IUPAC Name: 2-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-4-(N-phenylanilino)-2-pyridinyl]propan-2-yl]-N,N-diphenyl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-4-amine;platinum(2+)
• SMILES: CC(C)(c1cc(N(c2ccccc2)c2ccccc2)cc(-c2cc(C(F)(F)F)n[n-]2)n1)c1cc(N(c2ccccc2)c2ccccc2)cc(-c2[c-]cc(F)cc2F)n1.[Pt+2]
• InChI: InChI=1S/C47H33F5N6.Pt/c1-46(2,43-28-36(26-40(53-43)38-24-23-31(48)25-39(38)49)57(32-15-7-3-8-16-32)33-17-9-4-10-18-33)44-29-37(27-41(54-44)42-30-45(56-55-42)47(50,51)52)58(34-19-11-5-12-20-34)35-21-13-6-14-22-35;/h3-23,25-30H,1-2H3;/q-2;+2
• InChIKey: GNKPEYOXDWREIP-UHFFFAOYSA-N
• XLogP: 12.52
• TPSA: 59.25 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	971.89
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'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-4-(N-phenylanilino)-2-pyridinyl]propan-2-yl]-N,N-diphenyl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-4-amine;platinum(2+)?

The IUPAC name of 2-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-4-(N-phenylanilino)-2-pyridinyl]propan-2-yl]-N,N-diphenyl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-4-amine;platinum(2+) (CID 58831134) is 2-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-4-(N-phenylanilino)-2-pyridinyl]propan-2-yl]-N,N-diphenyl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-4-amine;platinum(2+).

What is the SMILES notation for 2-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-4-(N-phenylanilino)-2-pyridinyl]propan-2-yl]-N,N-diphenyl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-4-amine;platinum(2+)?

The canonical SMILES for 2-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-4-(N-phenylanilino)-2-pyridinyl]propan-2-yl]-N,N-diphenyl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-4-amine;platinum(2+) is CC(C)(c1cc(N(c2ccccc2)c2ccccc2)cc(-c2cc(C(F)(F)F)n[n-]2)n1)c1cc(N(c2ccccc2)c2ccccc2)cc(-c2[c-]cc(F)cc2F)n1.[Pt+2].

What is the InChIKey of 2-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-4-(N-phenylanilino)-2-pyridinyl]propan-2-yl]-N,N-diphenyl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-4-amine;platinum(2+)?

The InChIKey is GNKPEYOXDWREIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H33F5N6.Pt/c1-46(2,43-28-36(26-40(53-43)38-24-23-31(48)25-39(38)49)57(32-15-7-3-8-16-32)33-17-9-4-10-18-33)44-29-37(27-41(54-44)42-30-45(56-55-42)47(50,51)52)58(34-19-11-5-12-20-34)35-21-13-6-14-22-35;/h3-23,25-30H,1-2H3;/q-2;+2.

What are the key properties of 2-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-4-(N-phenylanilino)-2-pyridinyl]propan-2-yl]-N,N-diphenyl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-4-amine;platinum(2+)?

2-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-4-(N-phenylanilino)-2-pyridinyl]propan-2-yl]-N,N-diphenyl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-4-amine;platinum(2+) has a molecular weight of 971.89 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 2-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-4-(N-phenylanilino)-2-pyridinyl]propan-2-yl]-N,N-diphenyl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-4-amine;platinum(2+) is sourced from PubChem (CID 58831134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).