2-[1-phenyl-4-[3-(3,5,6-trideuterio-4-thiophen-2-yl-2-pyridinyl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum

C34H22N3OPtS- — CID 171424869

About 2-[1-phenyl-4-[3-(3,5,6-trideuterio-4-thiophen-2-yl-2-pyridinyl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum

2-[1-phenyl-4-[3-(3,5,6-trideuterio-4-thiophen-2-yl-2-pyridinyl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum (PubChem CID 171424869) has the molecular formula C34H22N3OPtS- and a molecular weight of 718.73 g/mol. Its IUPAC name is 2-[1-phenyl-4-[3-(3,5,6-trideuterio-4-thiophen-2-yl-2-pyridinyl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum.

Molecular Properties

• Compound Name: 2-[1-phenyl-4-[3-(3,5,6-trideuterio-4-thiophen-2-yl-2-pyridinyl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum
• PubChem CID: 171424869
• Molecular Formula: C34H22N3OPtS-
• Molecular Weight: 718.73 g/mol
• Exact Mass: 718.13
• IUPAC Name: 2-[1-phenyl-4-[3-(3,5,6-trideuterio-4-thiophen-2-yl-2-pyridinyl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum
• SMILES: [2H]c1nc(-c2[c-]c(-c3cccc4c3nc(-c3ccccc3O)n4-c3ccccc3)ccc2)c([2H])c(-c2cccs2)c1[2H].[Pt]
• InChI: InChI=1S/C34H22N3OS.Pt/c38-31-16-5-4-13-28(31)34-36-33-27(14-7-15-30(33)37(34)26-11-2-1-3-12-26)23-9-6-10-24(21-23)29-22-25(18-19-35-29)32-17-8-20-39-32;/h1-20,22,38H;/q-1;/i18D,19D,22D
• InChIKey: IMEBCQBGEGHSKM-OLDMNNGTSA-N
• XLogP: 8.65
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	718.73
LogP ≤ 5	8.65
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-[1-phenyl-4-[3-(3,5,6-trideuterio-4-thiophen-2-yl-2-pyridinyl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum?

The IUPAC name of 2-[1-phenyl-4-[3-(3,5,6-trideuterio-4-thiophen-2-yl-2-pyridinyl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum (CID 171424869) is 2-[1-phenyl-4-[3-(3,5,6-trideuterio-4-thiophen-2-yl-2-pyridinyl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum.

What is the SMILES notation for 2-[1-phenyl-4-[3-(3,5,6-trideuterio-4-thiophen-2-yl-2-pyridinyl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum?

The canonical SMILES for 2-[1-phenyl-4-[3-(3,5,6-trideuterio-4-thiophen-2-yl-2-pyridinyl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum is [2H]c1nc(-c2[c-]c(-c3cccc4c3nc(-c3ccccc3O)n4-c3ccccc3)ccc2)c([2H])c(-c2cccs2)c1[2H].[Pt].

What is the InChIKey of 2-[1-phenyl-4-[3-(3,5,6-trideuterio-4-thiophen-2-yl-2-pyridinyl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum?

The InChIKey is IMEBCQBGEGHSKM-OLDMNNGTSA-N. The full InChI is InChI=1S/C34H22N3OS.Pt/c38-31-16-5-4-13-28(31)34-36-33-27(14-7-15-30(33)37(34)26-11-2-1-3-12-26)23-9-6-10-24(21-23)29-22-25(18-19-35-29)32-17-8-20-39-32;/h1-20,22,38H;/q-1;/i18D,19D,22D;.

What are the key properties of 2-[1-phenyl-4-[3-(3,5,6-trideuterio-4-thiophen-2-yl-2-pyridinyl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum?

2-[1-phenyl-4-[3-(3,5,6-trideuterio-4-thiophen-2-yl-2-pyridinyl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum has a molecular weight of 718.73 g/mol, XLogP of 8.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-phenyl-4-[3-(3,5,6-trideuterio-4-thiophen-2-yl-2-pyridinyl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 171424869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).