4-tert-butyl-2-[1-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-2-phenylphenyl]-4-[3-[4-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]-6-methylphenol;platinum

C61H58N3OPt- — CID 153480626

About 4-tert-butyl-2-[1-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-2-phenylphenyl]-4-[3-[4-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]-6-methylphenol;platinum

4-tert-butyl-2-[1-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-2-phenylphenyl]-4-[3-[4-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]-6-methylphenol;platinum (PubChem CID 153480626) has the molecular formula C61H58N3OPt- and a molecular weight of 1062.34 g/mol. Its IUPAC name is 4-tert-butyl-2-[1-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-2-phenylphenyl]-4-[3-[4-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]-6-methylphenol;platinum.

Molecular Properties

• Compound Name: 4-tert-butyl-2-[1-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-2-phenylphenyl]-4-[3-[4-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]-6-methylphenol;platinum
• PubChem CID: 153480626
• Molecular Formula: C61H58N3OPt-
• Molecular Weight: 1062.34 g/mol
• Exact Mass: 1061.54
• IUPAC Name: 4-tert-butyl-2-[1-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-2-phenylphenyl]-4-[3-[4-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]-6-methylphenol;platinum
• SMILES: [2H]C([2H])([2H])C(c1ccc(-c2ccnc(-c3[c-]c(-c4cccc5c4nc(-c4cc(C(C)(C)C)cc(C)c4O)n5-c4ccc(C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])cc4-c4ccccc4)cc(-c4ccccc4)c3)c2)cc1)(C([2H])([2H])[2H])C([2H])([2H])[2H].[Pt]
• InChI: InChI=1S/C61H58N3O.Pt/c1-39-32-49(61(8,9)10)38-52(57(39)65)58-63-56-50(22-17-23-55(56)64(58)54-29-28-48(60(5,6)7)37-51(54)42-20-15-12-16-21-42)45-33-44(40-18-13-11-14-19-40)34-46(35-45)53-36-43(30-31-62-53)41-24-26-47(27-25-41)59(2,3)4;/h11-34,36-38,65H,1-10H3;/q-1;/i2D3,3D3,4D3,5D3,6D3,7D3
• InChIKey: UYTPLADDGCNDQN-BFKPYPBKSA-N
• XLogP: 16.13
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1062.34
LogP ≤ 5	16.13
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 4-tert-butyl-2-[1-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-2-phenylphenyl]-4-[3-[4-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]-6-methylphenol;platinum?

The IUPAC name of 4-tert-butyl-2-[1-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-2-phenylphenyl]-4-[3-[4-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]-6-methylphenol;platinum (CID 153480626) is 4-tert-butyl-2-[1-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-2-phenylphenyl]-4-[3-[4-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]-6-methylphenol;platinum.

What is the SMILES notation for 4-tert-butyl-2-[1-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-2-phenylphenyl]-4-[3-[4-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]-6-methylphenol;platinum?

The canonical SMILES for 4-tert-butyl-2-[1-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-2-phenylphenyl]-4-[3-[4-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]-6-methylphenol;platinum is [2H]C([2H])([2H])C(c1ccc(-c2ccnc(-c3[c-]c(-c4cccc5c4nc(-c4cc(C(C)(C)C)cc(C)c4O)n5-c4ccc(C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])cc4-c4ccccc4)cc(-c4ccccc4)c3)c2)cc1)(C([2H])([2H])[2H])C([2H])([2H])[2H].[Pt].

What is the InChIKey of 4-tert-butyl-2-[1-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-2-phenylphenyl]-4-[3-[4-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]-6-methylphenol;platinum?

The InChIKey is UYTPLADDGCNDQN-BFKPYPBKSA-N. The full InChI is InChI=1S/C61H58N3O.Pt/c1-39-32-49(61(8,9)10)38-52(57(39)65)58-63-56-50(22-17-23-55(56)64(58)54-29-28-48(60(5,6)7)37-51(54)42-20-15-12-16-21-42)45-33-44(40-18-13-11-14-19-40)34-46(35-45)53-36-43(30-31-62-53)41-24-26-47(27-25-41)59(2,3)4;/h11-34,36-38,65H,1-10H3;/q-1;/i2D3,3D3,4D3,5D3,6D3,7D3;.

What are the key properties of 4-tert-butyl-2-[1-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-2-phenylphenyl]-4-[3-[4-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]-6-methylphenol;platinum?

4-tert-butyl-2-[1-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-2-phenylphenyl]-4-[3-[4-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]-6-methylphenol;platinum has a molecular weight of 1062.34 g/mol, XLogP of 16.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-2-[1-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-2-phenylphenyl]-4-[3-[4-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]-6-methylphenol;platinum is sourced from PubChem (CID 153480626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).