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

C49H34N3OPt- — CID 153482356

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

2-[4-[3-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[3-phenyl-5-(trideuteriomethyl)phenyl]benzimidazol-2-yl]phenol;platinum (PubChem CID 153482356) has the molecular formula C49H34N3OPt- and a molecular weight of 878.93 g/mol. Its IUPAC name is 2-[4-[3-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[3-phenyl-5-(trideuteriomethyl)phenyl]benzimidazol-2-yl]phenol;platinum.

Molecular Properties

• Compound Name: 2-[4-[3-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[3-phenyl-5-(trideuteriomethyl)phenyl]benzimidazol-2-yl]phenol;platinum
• PubChem CID: 153482356
• Molecular Formula: C49H34N3OPt-
• Molecular Weight: 878.93 g/mol
• Exact Mass: 878.25
• IUPAC Name: 2-[4-[3-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[3-phenyl-5-(trideuteriomethyl)phenyl]benzimidazol-2-yl]phenol;platinum
• SMILES: [2H]C([2H])([2H])c1cc(-c2ccccc2)cc(-n2c(-c3ccccc3O)nc3c(-c4[c-]c(-c5cc(-c6ccccc6)ccn5)cc(-c5ccccc5)c4)cccc32)c1.[Pt]
• InChI: InChI=1S/C49H34N3O.Pt/c1-33-26-38(35-16-7-3-8-17-35)31-42(27-33)52-46-22-13-21-43(48(46)51-49(52)44-20-11-12-23-47(44)53)40-28-39(36-18-9-4-10-19-36)29-41(30-40)45-32-37(24-25-50-45)34-14-5-2-6-15-34;/h2-29,31-32,53H,1H3;/q-1;/i1D3
• InChIKey: FHSDXGLJOBLTDL-NIIDSAIPSA-N
• XLogP: 12.23
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	878.93
LogP ≤ 5	12.23
H-Bond Donors ≤ 5	1
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-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[3-phenyl-5-(trideuteriomethyl)phenyl]benzimidazol-2-yl]phenol;platinum?

The IUPAC name of 2-[4-[3-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[3-phenyl-5-(trideuteriomethyl)phenyl]benzimidazol-2-yl]phenol;platinum (CID 153482356) is 2-[4-[3-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[3-phenyl-5-(trideuteriomethyl)phenyl]benzimidazol-2-yl]phenol;platinum.

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

The canonical SMILES for 2-[4-[3-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[3-phenyl-5-(trideuteriomethyl)phenyl]benzimidazol-2-yl]phenol;platinum is [2H]C([2H])([2H])c1cc(-c2ccccc2)cc(-n2c(-c3ccccc3O)nc3c(-c4[c-]c(-c5cc(-c6ccccc6)ccn5)cc(-c5ccccc5)c4)cccc32)c1.[Pt].

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

The InChIKey is FHSDXGLJOBLTDL-NIIDSAIPSA-N. The full InChI is InChI=1S/C49H34N3O.Pt/c1-33-26-38(35-16-7-3-8-17-35)31-42(27-33)52-46-22-13-21-43(48(46)51-49(52)44-20-11-12-23-47(44)53)40-28-39(36-18-9-4-10-19-36)29-41(30-40)45-32-37(24-25-50-45)34-14-5-2-6-15-34;/h2-29,31-32,53H,1H3;/q-1;/i1D3;.

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

2-[4-[3-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[3-phenyl-5-(trideuteriomethyl)phenyl]benzimidazol-2-yl]phenol;platinum has a molecular weight of 878.93 g/mol, XLogP of 12.23, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[3-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[3-phenyl-5-(trideuteriomethyl)phenyl]benzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 153482356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).