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

C57H50N3OPt- — CID 153481129

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

2,4-bis[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-6-[4-[3-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[4-phenyl-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]phenol;platinum (PubChem CID 153481129) has the molecular formula C57H50N3OPt- and a molecular weight of 1009.25 g/mol. Its IUPAC name is 2,4-bis[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-6-[4-[3-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[4-phenyl-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]phenol;platinum.

Molecular Properties

• Compound Name: 2,4-bis[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-6-[4-[3-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[4-phenyl-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]phenol;platinum
• PubChem CID: 153481129
• Molecular Formula: C57H50N3OPt-
• Molecular Weight: 1009.25 g/mol
• Exact Mass: 1008.49
• IUPAC Name: 2,4-bis[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-6-[4-[3-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[4-phenyl-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]phenol;platinum
• SMILES: [2H]C([2H])([2H])c1cc(-c2ccccc2)ccc1-n1c(-c2cc(C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])cc(C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])c2O)nc2c(-c3[c-]c(-c4cc(-c5ccccc5)ccn4)cc(-c4ccccc4)c3)cccc21.[Pt]
• InChI: InChI=1S/C57H50N3O.Pt/c1-37-30-41(38-18-11-8-12-19-38)26-27-51(37)60-52-25-17-24-47(53(52)59-55(60)48-35-46(56(2,3)4)36-49(54(48)61)57(5,6)7)44-31-43(40-22-15-10-16-23-40)32-45(33-44)50-34-42(28-29-58-50)39-20-13-9-14-21-39;/h8-32,34-36,61H,1-7H3;/q-1;/i1D3,2D3,3D3,4D3,5D3,6D3,7D3
• InChIKey: YAXIPQVRSDYZLO-SQMCUBMLSA-N
• XLogP: 14.83
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1009.25
LogP ≤ 5	14.83
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-bis[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-6-[4-[3-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[4-phenyl-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]phenol;platinum?

The IUPAC name of 2,4-bis[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-6-[4-[3-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[4-phenyl-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]phenol;platinum (CID 153481129) is 2,4-bis[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-6-[4-[3-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[4-phenyl-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]phenol;platinum.

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

The canonical SMILES for 2,4-bis[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-6-[4-[3-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[4-phenyl-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]phenol;platinum is [2H]C([2H])([2H])c1cc(-c2ccccc2)ccc1-n1c(-c2cc(C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])cc(C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])c2O)nc2c(-c3[c-]c(-c4cc(-c5ccccc5)ccn4)cc(-c4ccccc4)c3)cccc21.[Pt].

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

The InChIKey is YAXIPQVRSDYZLO-SQMCUBMLSA-N. The full InChI is InChI=1S/C57H50N3O.Pt/c1-37-30-41(38-18-11-8-12-19-38)26-27-51(37)60-52-25-17-24-47(53(52)59-55(60)48-35-46(56(2,3)4)36-49(54(48)61)57(5,6)7)44-31-43(40-22-15-10-16-23-40)32-45(33-44)50-34-42(28-29-58-50)39-20-13-9-14-21-39;/h8-32,34-36,61H,1-7H3;/q-1;/i1D3,2D3,3D3,4D3,5D3,6D3,7D3;.

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

2,4-bis[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-6-[4-[3-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[4-phenyl-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]phenol;platinum has a molecular weight of 1009.25 g/mol, XLogP of 14.83, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-bis[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-6-[4-[3-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[4-phenyl-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 153481129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).