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

C51H38N3OPt- — CID 153477786

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

2-[1-[3-phenyl-4,5-bis(trideuteriomethyl)phenyl]-4-[3-phenyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum (PubChem CID 153477786) has the molecular formula C51H38N3OPt- and a molecular weight of 913.02 g/mol. Its IUPAC name is 2-[1-[3-phenyl-4,5-bis(trideuteriomethyl)phenyl]-4-[3-phenyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum.

Molecular Properties

• Compound Name: 2-[1-[3-phenyl-4,5-bis(trideuteriomethyl)phenyl]-4-[3-phenyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum
• PubChem CID: 153477786
• Molecular Formula: C51H38N3OPt-
• Molecular Weight: 913.02 g/mol
• Exact Mass: 912.32
• IUPAC Name: 2-[1-[3-phenyl-4,5-bis(trideuteriomethyl)phenyl]-4-[3-phenyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum
• SMILES: [2H]C([2H])([2H])c1ccc(-c2ccnc(-c3[c-]c(-c4cccc5c4nc(-c4ccccc4O)n5-c4cc(-c5ccccc5)c(C([2H])([2H])[2H])c(C([2H])([2H])[2H])c4)cc(-c4ccccc4)c3)c2)cc1.[Pt]
• InChI: InChI=1S/C51H38N3O.Pt/c1-33-21-23-37(24-22-33)39-25-26-52-47(31-39)42-29-40(36-13-6-4-7-14-36)28-41(30-42)44-18-12-19-48-50(44)53-51(45-17-10-11-20-49(45)55)54(48)43-27-34(2)35(3)46(32-43)38-15-8-5-9-16-38;/h4-29,31-32,55H,1-3H3;/q-1;/i1D3,2D3,3D3
• InChIKey: BWSCIUGOLXBOCE-KYRNGWDOSA-N
• XLogP: 12.85
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	913.02
LogP ≤ 5	12.85
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-[1-[3-phenyl-4,5-bis(trideuteriomethyl)phenyl]-4-[3-phenyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum?

The IUPAC name of 2-[1-[3-phenyl-4,5-bis(trideuteriomethyl)phenyl]-4-[3-phenyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum (CID 153477786) is 2-[1-[3-phenyl-4,5-bis(trideuteriomethyl)phenyl]-4-[3-phenyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum.

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

The canonical SMILES for 2-[1-[3-phenyl-4,5-bis(trideuteriomethyl)phenyl]-4-[3-phenyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum is [2H]C([2H])([2H])c1ccc(-c2ccnc(-c3[c-]c(-c4cccc5c4nc(-c4ccccc4O)n5-c4cc(-c5ccccc5)c(C([2H])([2H])[2H])c(C([2H])([2H])[2H])c4)cc(-c4ccccc4)c3)c2)cc1.[Pt].

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

The InChIKey is BWSCIUGOLXBOCE-KYRNGWDOSA-N. The full InChI is InChI=1S/C51H38N3O.Pt/c1-33-21-23-37(24-22-33)39-25-26-52-47(31-39)42-29-40(36-13-6-4-7-14-36)28-41(30-42)44-18-12-19-48-50(44)53-51(45-17-10-11-20-49(45)55)54(48)43-27-34(2)35(3)46(32-43)38-15-8-5-9-16-38;/h4-29,31-32,55H,1-3H3;/q-1;/i1D3,2D3,3D3;.

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

2-[1-[3-phenyl-4,5-bis(trideuteriomethyl)phenyl]-4-[3-phenyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum has a molecular weight of 913.02 g/mol, XLogP of 12.85, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[3-phenyl-4,5-bis(trideuteriomethyl)phenyl]-4-[3-phenyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 153477786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).