2-[6-[2-phenyl-1-(2-phenylphenyl)benzimidazol-4-yl]oxy-2-pyridinyl]-4-(2,2'-spirobi[1,3-dihydroindene]-5-yl)phenol;platinum

C53H38N3O2Pt- — CID 164727608

About 2-[6-[2-phenyl-1-(2-phenylphenyl)benzimidazol-4-yl]oxy-2-pyridinyl]-4-(2,2'-spirobi[1,3-dihydroindene]-5-yl)phenol;platinum

2-[6-[2-phenyl-1-(2-phenylphenyl)benzimidazol-4-yl]oxy-2-pyridinyl]-4-(2,2'-spirobi[1,3-dihydroindene]-5-yl)phenol;platinum (PubChem CID 164727608) has the molecular formula C53H38N3O2Pt- and a molecular weight of 943.98 g/mol. Its IUPAC name is 2-[6-[2-phenyl-1-(2-phenylphenyl)benzimidazol-4-yl]oxy-2-pyridinyl]-4-(2,2'-spirobi[1,3-dihydroindene]-5-yl)phenol;platinum.

Molecular Properties

• Compound Name: 2-[6-[2-phenyl-1-(2-phenylphenyl)benzimidazol-4-yl]oxy-2-pyridinyl]-4-(2,2'-spirobi[1,3-dihydroindene]-5-yl)phenol;platinum
• PubChem CID: 164727608
• Molecular Formula: C53H38N3O2Pt-
• Molecular Weight: 943.98 g/mol
• Exact Mass: 943.26
• IUPAC Name: 2-[6-[2-phenyl-1-(2-phenylphenyl)benzimidazol-4-yl]oxy-2-pyridinyl]-4-(2,2'-spirobi[1,3-dihydroindene]-5-yl)phenol;platinum
• SMILES: Oc1ccc(-c2ccc3c(c2)CC2(Cc4ccccc4C2)C3)cc1-c1cccc(Oc2cccc3c2nc(-c2[c-]cccc2)n3-c2ccccc2-c2ccccc2)n1.[Pt]
• InChI: InChI=1S/C53H38N3O2.Pt/c57-48-28-27-38(37-25-26-41-33-53(34-42(41)29-37)31-39-17-7-8-18-40(39)32-53)30-44(48)45-20-11-24-50(54-45)58-49-23-12-22-47-51(49)55-52(36-15-5-2-6-16-36)56(47)46-21-10-9-19-43(46)35-13-3-1-4-14-35;/h1-15,17-30,57H,31-34H2;/q-1
• InChIKey: XZMAYYVICTUCEA-UHFFFAOYSA-N
• XLogP: 12.27
• TPSA: 60.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	943.98
LogP ≤ 5	12.27
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 2-[6-[2-phenyl-1-(2-phenylphenyl)benzimidazol-4-yl]oxy-2-pyridinyl]-4-(2,2'-spirobi[1,3-dihydroindene]-5-yl)phenol;platinum?

The IUPAC name of 2-[6-[2-phenyl-1-(2-phenylphenyl)benzimidazol-4-yl]oxy-2-pyridinyl]-4-(2,2'-spirobi[1,3-dihydroindene]-5-yl)phenol;platinum (CID 164727608) is 2-[6-[2-phenyl-1-(2-phenylphenyl)benzimidazol-4-yl]oxy-2-pyridinyl]-4-(2,2'-spirobi[1,3-dihydroindene]-5-yl)phenol;platinum.

What is the SMILES notation for 2-[6-[2-phenyl-1-(2-phenylphenyl)benzimidazol-4-yl]oxy-2-pyridinyl]-4-(2,2'-spirobi[1,3-dihydroindene]-5-yl)phenol;platinum?

The canonical SMILES for 2-[6-[2-phenyl-1-(2-phenylphenyl)benzimidazol-4-yl]oxy-2-pyridinyl]-4-(2,2'-spirobi[1,3-dihydroindene]-5-yl)phenol;platinum is Oc1ccc(-c2ccc3c(c2)CC2(Cc4ccccc4C2)C3)cc1-c1cccc(Oc2cccc3c2nc(-c2[c-]cccc2)n3-c2ccccc2-c2ccccc2)n1.[Pt].

What is the InChIKey of 2-[6-[2-phenyl-1-(2-phenylphenyl)benzimidazol-4-yl]oxy-2-pyridinyl]-4-(2,2'-spirobi[1,3-dihydroindene]-5-yl)phenol;platinum?

The InChIKey is XZMAYYVICTUCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H38N3O2.Pt/c57-48-28-27-38(37-25-26-41-33-53(34-42(41)29-37)31-39-17-7-8-18-40(39)32-53)30-44(48)45-20-11-24-50(54-45)58-49-23-12-22-47-51(49)55-52(36-15-5-2-6-16-36)56(47)46-21-10-9-19-43(46)35-13-3-1-4-14-35;/h1-15,17-30,57H,31-34H2;/q-1;.

What are the key properties of 2-[6-[2-phenyl-1-(2-phenylphenyl)benzimidazol-4-yl]oxy-2-pyridinyl]-4-(2,2'-spirobi[1,3-dihydroindene]-5-yl)phenol;platinum?

2-[6-[2-phenyl-1-(2-phenylphenyl)benzimidazol-4-yl]oxy-2-pyridinyl]-4-(2,2'-spirobi[1,3-dihydroindene]-5-yl)phenol;platinum has a molecular weight of 943.98 g/mol, XLogP of 12.27, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[2-phenyl-1-(2-phenylphenyl)benzimidazol-4-yl]oxy-2-pyridinyl]-4-(2,2'-spirobi[1,3-dihydroindene]-5-yl)phenol;platinum is sourced from PubChem (CID 164727608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).