4-[1-(2-phenylphenyl)-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]dibenzofuran-3-ol;platinum

C42H26N3O2Pt- — CID 162783058

About 4-[1-(2-phenylphenyl)-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]dibenzofuran-3-ol;platinum

4-[1-(2-phenylphenyl)-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]dibenzofuran-3-ol;platinum (PubChem CID 162783058) has the molecular formula C42H26N3O2Pt- and a molecular weight of 799.77 g/mol. Its IUPAC name is 4-[1-(2-phenylphenyl)-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]dibenzofuran-3-ol;platinum.

Molecular Properties

• Compound Name: 4-[1-(2-phenylphenyl)-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]dibenzofuran-3-ol;platinum
• PubChem CID: 162783058
• Molecular Formula: C42H26N3O2Pt-
• Molecular Weight: 799.77 g/mol
• Exact Mass: 799.17
• IUPAC Name: 4-[1-(2-phenylphenyl)-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]dibenzofuran-3-ol;platinum
• SMILES: Oc1ccc2c(oc3ccccc32)c1-c1nc2c(-c3[c-]c(-c4ccccn4)ccc3)cccc2n1-c1ccccc1-c1ccccc1.[Pt]
• InChI: InChI=1S/C42H26N3O2.Pt/c46-37-24-23-33-32-17-5-7-22-38(32)47-41(33)39(37)42-44-40-31(28-14-10-15-29(26-28)34-19-8-9-25-43-34)18-11-21-36(40)45(42)35-20-6-4-16-30(35)27-12-2-1-3-13-27;/h1-25,46H;/q-1
• InChIKey: ZDSDQRHNNGSZDL-UHFFFAOYSA-N
• XLogP: 10.49
• TPSA: 64.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	799.77
LogP ≤ 5	10.49
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 4-[1-(2-phenylphenyl)-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]dibenzofuran-3-ol;platinum?

The IUPAC name of 4-[1-(2-phenylphenyl)-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]dibenzofuran-3-ol;platinum (CID 162783058) is 4-[1-(2-phenylphenyl)-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]dibenzofuran-3-ol;platinum.

What is the SMILES notation for 4-[1-(2-phenylphenyl)-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]dibenzofuran-3-ol;platinum?

The canonical SMILES for 4-[1-(2-phenylphenyl)-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]dibenzofuran-3-ol;platinum is Oc1ccc2c(oc3ccccc32)c1-c1nc2c(-c3[c-]c(-c4ccccn4)ccc3)cccc2n1-c1ccccc1-c1ccccc1.[Pt].

What is the InChIKey of 4-[1-(2-phenylphenyl)-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]dibenzofuran-3-ol;platinum?

The InChIKey is ZDSDQRHNNGSZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N3O2.Pt/c46-37-24-23-33-32-17-5-7-22-38(32)47-41(33)39(37)42-44-40-31(28-14-10-15-29(26-28)34-19-8-9-25-43-34)18-11-21-36(40)45(42)35-20-6-4-16-30(35)27-12-2-1-3-13-27;/h1-25,46H;/q-1;.

What are the key properties of 4-[1-(2-phenylphenyl)-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]dibenzofuran-3-ol;platinum?

4-[1-(2-phenylphenyl)-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]dibenzofuran-3-ol;platinum has a molecular weight of 799.77 g/mol, XLogP of 10.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-(2-phenylphenyl)-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]dibenzofuran-3-ol;platinum is sourced from PubChem (CID 162783058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).