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

C57H58N3OPt- — CID 164811936

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

2,4-ditert-butyl-6-[1-[4-(2-deuteriopropan-2-yl)-2-phenylphenyl]-4-[3-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum (PubChem CID 164811936) has the molecular formula C57H58N3OPt- and a molecular weight of 1006.25 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[1-[4-(2-deuteriopropan-2-yl)-2-phenylphenyl]-4-[3-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum.

Molecular Properties

• Compound Name: 2,4-ditert-butyl-6-[1-[4-(2-deuteriopropan-2-yl)-2-phenylphenyl]-4-[3-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum
• PubChem CID: 164811936
• Molecular Formula: C57H58N3OPt-
• Molecular Weight: 1006.25 g/mol
• Exact Mass: 1005.49
• IUPAC Name: 2,4-ditert-butyl-6-[1-[4-(2-deuteriopropan-2-yl)-2-phenylphenyl]-4-[3-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum
• SMILES: [2H]C(C)(C)c1ccc(-n2c(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)nc3c(-c4[c-]c(-c5cc(-c6ccccc6)ccn5)cc(C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])c4)cccc32)c(-c2ccccc2)c1.[Pt]
• InChI: InChI=1S/C57H58N3O.Pt/c1-36(2)39-25-26-50(46(32-39)38-21-16-13-17-22-38)60-51-24-18-23-45(52(51)59-54(60)47-34-44(56(6,7)8)35-48(53(47)61)57(9,10)11)41-29-42(31-43(30-41)55(3,4)5)49-33-40(27-28-58-49)37-19-14-12-15-20-37;/h12-28,30-36,61H,1-11H3;/q-1;/i3D3,4D3,5D3,36D
• InChIKey: JXKGBFRQRIXVBX-ZMXNRDGSSA-N
• XLogP: 15.27
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1006.25
LogP ≤ 5	15.27
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-ditert-butyl-6-[1-[4-(2-deuteriopropan-2-yl)-2-phenylphenyl]-4-[3-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum?

The IUPAC name of 2,4-ditert-butyl-6-[1-[4-(2-deuteriopropan-2-yl)-2-phenylphenyl]-4-[3-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum (CID 164811936) is 2,4-ditert-butyl-6-[1-[4-(2-deuteriopropan-2-yl)-2-phenylphenyl]-4-[3-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum.

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

The canonical SMILES for 2,4-ditert-butyl-6-[1-[4-(2-deuteriopropan-2-yl)-2-phenylphenyl]-4-[3-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum is [2H]C(C)(C)c1ccc(-n2c(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)nc3c(-c4[c-]c(-c5cc(-c6ccccc6)ccn5)cc(C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])c4)cccc32)c(-c2ccccc2)c1.[Pt].

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

The InChIKey is JXKGBFRQRIXVBX-ZMXNRDGSSA-N. The full InChI is InChI=1S/C57H58N3O.Pt/c1-36(2)39-25-26-50(46(32-39)38-21-16-13-17-22-38)60-51-24-18-23-45(52(51)59-54(60)47-34-44(56(6,7)8)35-48(53(47)61)57(9,10)11)41-29-42(31-43(30-41)55(3,4)5)49-33-40(27-28-58-49)37-19-14-12-15-20-37;/h12-28,30-36,61H,1-11H3;/q-1;/i3D3,4D3,5D3,36D;.

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

2,4-ditert-butyl-6-[1-[4-(2-deuteriopropan-2-yl)-2-phenylphenyl]-4-[3-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum has a molecular weight of 1006.25 g/mol, XLogP of 15.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-ditert-butyl-6-[1-[4-(2-deuteriopropan-2-yl)-2-phenylphenyl]-4-[3-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 164811936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).