2-[4-[3-(4-tert-butyl-2-pyridinyl)-5-methylbenzene-2-id-1-yl]oxy-3H-naphthalen-3-id-2-yl]-4-[5-(3,3-difluoro-2,2-dimethylpropyl)-1-benzofuran-2-yl]pyridine;platinum(2+)

C44H38F2N2O2Pt — CID 176623404

About 2-[4-[3-(4-tert-butyl-2-pyridinyl)-5-methylbenzene-2-id-1-yl]oxy-3H-naphthalen-3-id-2-yl]-4-[5-(3,3-difluoro-2,2-dimethylpropyl)-1-benzofuran-2-yl]pyridine;platinum(2+)

2-[4-[3-(4-tert-butyl-2-pyridinyl)-5-methylbenzene-2-id-1-yl]oxy-3H-naphthalen-3-id-2-yl]-4-[5-(3,3-difluoro-2,2-dimethylpropyl)-1-benzofuran-2-yl]pyridine;platinum(2+) (PubChem CID 176623404) has the molecular formula C44H38F2N2O2Pt and a molecular weight of 859.87 g/mol. Its IUPAC name is 2-[4-[3-(4-tert-butyl-2-pyridinyl)-5-methylbenzene-2-id-1-yl]oxy-3H-naphthalen-3-id-2-yl]-4-[5-(3,3-difluoro-2,2-dimethylpropyl)-1-benzofuran-2-yl]pyridine;platinum(2+).

Molecular Properties

• Compound Name: 2-[4-[3-(4-tert-butyl-2-pyridinyl)-5-methylbenzene-2-id-1-yl]oxy-3H-naphthalen-3-id-2-yl]-4-[5-(3,3-difluoro-2,2-dimethylpropyl)-1-benzofuran-2-yl]pyridine;platinum(2+)
• PubChem CID: 176623404
• Molecular Formula: C44H38F2N2O2Pt
• Molecular Weight: 859.87 g/mol
• Exact Mass: 859.25
• IUPAC Name: 2-[4-[3-(4-tert-butyl-2-pyridinyl)-5-methylbenzene-2-id-1-yl]oxy-3H-naphthalen-3-id-2-yl]-4-[5-(3,3-difluoro-2,2-dimethylpropyl)-1-benzofuran-2-yl]pyridine;platinum(2+)
• SMILES: Cc1cc(Oc2[c-]c(-c3cc(-c4cc5cc(CC(C)(C)C(F)F)ccc5o4)ccn3)cc3ccccc23)[c-]c(-c2cc(C(C)(C)C)ccn2)c1.[Pt+2]
• InChI: InChI=1S/C44H38F2N2O2.Pt/c1-27-17-31(38-25-34(14-16-48-38)43(2,3)4)21-35(18-27)49-41-23-32(20-29-9-7-8-10-36(29)41)37-22-30(13-15-47-37)40-24-33-19-28(11-12-39(33)50-40)26-44(5,6)42(45)46;/h7-20,22,24-25,42H,26H2,1-6H3;/q-2;+2
• InChIKey: AMVKXGIWGLLDMO-UHFFFAOYSA-N
• XLogP: 12.21
• TPSA: 48.15 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	859.87
LogP ≤ 5	12.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(4-tert-butyl-2-pyridinyl)-5-methylbenzene-2-id-1-yl]oxy-3H-naphthalen-3-id-2-yl]-4-[5-(3,3-difluoro-2,2-dimethylpropyl)-1-benzofuran-2-yl]pyridine;platinum(2+)?

The IUPAC name of 2-[4-[3-(4-tert-butyl-2-pyridinyl)-5-methylbenzene-2-id-1-yl]oxy-3H-naphthalen-3-id-2-yl]-4-[5-(3,3-difluoro-2,2-dimethylpropyl)-1-benzofuran-2-yl]pyridine;platinum(2+) (CID 176623404) is 2-[4-[3-(4-tert-butyl-2-pyridinyl)-5-methylbenzene-2-id-1-yl]oxy-3H-naphthalen-3-id-2-yl]-4-[5-(3,3-difluoro-2,2-dimethylpropyl)-1-benzofuran-2-yl]pyridine;platinum(2+).

What is the SMILES notation for 2-[4-[3-(4-tert-butyl-2-pyridinyl)-5-methylbenzene-2-id-1-yl]oxy-3H-naphthalen-3-id-2-yl]-4-[5-(3,3-difluoro-2,2-dimethylpropyl)-1-benzofuran-2-yl]pyridine;platinum(2+)?

The canonical SMILES for 2-[4-[3-(4-tert-butyl-2-pyridinyl)-5-methylbenzene-2-id-1-yl]oxy-3H-naphthalen-3-id-2-yl]-4-[5-(3,3-difluoro-2,2-dimethylpropyl)-1-benzofuran-2-yl]pyridine;platinum(2+) is Cc1cc(Oc2[c-]c(-c3cc(-c4cc5cc(CC(C)(C)C(F)F)ccc5o4)ccn3)cc3ccccc23)[c-]c(-c2cc(C(C)(C)C)ccn2)c1.[Pt+2].

What is the InChIKey of 2-[4-[3-(4-tert-butyl-2-pyridinyl)-5-methylbenzene-2-id-1-yl]oxy-3H-naphthalen-3-id-2-yl]-4-[5-(3,3-difluoro-2,2-dimethylpropyl)-1-benzofuran-2-yl]pyridine;platinum(2+)?

The InChIKey is AMVKXGIWGLLDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H38F2N2O2.Pt/c1-27-17-31(38-25-34(14-16-48-38)43(2,3)4)21-35(18-27)49-41-23-32(20-29-9-7-8-10-36(29)41)37-22-30(13-15-47-37)40-24-33-19-28(11-12-39(33)50-40)26-44(5,6)42(45)46;/h7-20,22,24-25,42H,26H2,1-6H3;/q-2;+2.

What are the key properties of 2-[4-[3-(4-tert-butyl-2-pyridinyl)-5-methylbenzene-2-id-1-yl]oxy-3H-naphthalen-3-id-2-yl]-4-[5-(3,3-difluoro-2,2-dimethylpropyl)-1-benzofuran-2-yl]pyridine;platinum(2+)?

2-[4-[3-(4-tert-butyl-2-pyridinyl)-5-methylbenzene-2-id-1-yl]oxy-3H-naphthalen-3-id-2-yl]-4-[5-(3,3-difluoro-2,2-dimethylpropyl)-1-benzofuran-2-yl]pyridine;platinum(2+) has a molecular weight of 859.87 g/mol, XLogP of 12.21, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[3-(4-tert-butyl-2-pyridinyl)-5-methylbenzene-2-id-1-yl]oxy-3H-naphthalen-3-id-2-yl]-4-[5-(3,3-difluoro-2,2-dimethylpropyl)-1-benzofuran-2-yl]pyridine;platinum(2+) is sourced from PubChem (CID 176623404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).