5-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[2,6-di(propan-2-yl)phenyl]-5-(2-fluoropropan-2-yl)benzimidazol-2-yl]-1-benzofuran-6-ol;platinum

C₅₁H₄₉FN₃O₂Pt- — CID 177293719

About 5-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[2,6-di(propan-2-yl)phenyl]-5-(2-fluoropropan-2-yl)benzimidazol-2-yl]-1-benzofuran-6-ol;platinum

5-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[2,6-di(propan-2-yl)phenyl]-5-(2-fluoropropan-2-yl)benzimidazol-2-yl]-1-benzofuran-6-ol;platinum (PubChem CID 177293719) has the molecular formula C₅₁H₄₉FN₃O₂Pt- and a molecular weight of 950.05 g/mol. Its IUPAC name is 5-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[2,6-di(propan-2-yl)phenyl]-5-(2-fluoropropan-2-yl)benzimidazol-2-yl]-1-benzofuran-6-ol;platinum.

Molecular Properties

• Compound Name: 5-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[2,6-di(propan-2-yl)phenyl]-5-(2-fluoropropan-2-yl)benzimidazol-2-yl]-1-benzofuran-6-ol;platinum
• PubChem CID: 177293719
• Molecular Formula: C₅₁H₄₉FN₃O₂Pt-
• Molecular Weight: 950.05 g/mol
• Exact Mass: 949.35
• IUPAC Name: 5-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[2,6-di(propan-2-yl)phenyl]-5-(2-fluoropropan-2-yl)benzimidazol-2-yl]-1-benzofuran-6-ol;platinum
• SMILES: CC(C)c1cccc(C(C)C)c1-n1c(-c2cc3ccoc3cc2O)nc2c(-c3[c-]c(-c4cc(-c5ccccc5)ccn4)cc(C(C)(C)C)c3)c(C(C)(C)F)ccc21.[Pt]
• InChI: InChI=1S/C51H49FN3O2.Pt/c1-30(2)38-16-13-17-39(31(3)4)48(38)55-43-19-18-41(51(8,9)52)46(47(43)54-49(55)40-27-34-21-23-57-45(34)29-44(40)56)36-24-35(25-37(26-36)50(5,6)7)42-28-33(20-22-53-42)32-14-11-10-12-15-32;/h10-23,25-31,56H,1-9H3;/q-1
• InChIKey: OFSCUDMJGGDGQF-UHFFFAOYSA-N
• XLogP: 14.09
• TPSA: 64.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	950.05
LogP ≤ 5	14.09
H-Bond Donors ≤ 5	1
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 5-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[2,6-di(propan-2-yl)phenyl]-5-(2-fluoropropan-2-yl)benzimidazol-2-yl]-1-benzofuran-6-ol;platinum?

The IUPAC name of 5-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[2,6-di(propan-2-yl)phenyl]-5-(2-fluoropropan-2-yl)benzimidazol-2-yl]-1-benzofuran-6-ol;platinum (CID 177293719) is 5-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[2,6-di(propan-2-yl)phenyl]-5-(2-fluoropropan-2-yl)benzimidazol-2-yl]-1-benzofuran-6-ol;platinum.

What is the SMILES notation for 5-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[2,6-di(propan-2-yl)phenyl]-5-(2-fluoropropan-2-yl)benzimidazol-2-yl]-1-benzofuran-6-ol;platinum?

The canonical SMILES for 5-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[2,6-di(propan-2-yl)phenyl]-5-(2-fluoropropan-2-yl)benzimidazol-2-yl]-1-benzofuran-6-ol;platinum is CC(C)c1cccc(C(C)C)c1-n1c(-c2cc3ccoc3cc2O)nc2c(-c3[c-]c(-c4cc(-c5ccccc5)ccn4)cc(C(C)(C)C)c3)c(C(C)(C)F)ccc21.[Pt].

What is the InChIKey of 5-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[2,6-di(propan-2-yl)phenyl]-5-(2-fluoropropan-2-yl)benzimidazol-2-yl]-1-benzofuran-6-ol;platinum?

The InChIKey is OFSCUDMJGGDGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H49FN3O2.Pt/c1-30(2)38-16-13-17-39(31(3)4)48(38)55-43-19-18-41(51(8,9)52)46(47(43)54-49(55)40-27-34-21-23-57-45(34)29-44(40)56)36-24-35(25-37(26-36)50(5,6)7)42-28-33(20-22-53-42)32-14-11-10-12-15-32;/h10-23,25-31,56H,1-9H3;/q-1;.

What are the key properties of 5-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[2,6-di(propan-2-yl)phenyl]-5-(2-fluoropropan-2-yl)benzimidazol-2-yl]-1-benzofuran-6-ol;platinum?

5-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[2,6-di(propan-2-yl)phenyl]-5-(2-fluoropropan-2-yl)benzimidazol-2-yl]-1-benzofuran-6-ol;platinum has a molecular weight of 950.05 g/mol, XLogP of 14.09, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[2,6-di(propan-2-yl)phenyl]-5-(2-fluoropropan-2-yl)benzimidazol-2-yl]-1-benzofuran-6-ol;platinum is sourced from PubChem (CID 177293719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 177293719 — identifiers, structure, computed properties (public domain)

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