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

C61H66N3OPt- — CID 153480011

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

2-[4-[3-tert-butyl-5-[4-[4-(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-4,6-bis[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenol;platinum (PubChem CID 153480011) has the molecular formula C61H66N3OPt- and a molecular weight of 1071.41 g/mol. Its IUPAC name is 2-[4-[3-tert-butyl-5-[4-[4-(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-4,6-bis[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenol;platinum.

Molecular Properties

• Compound Name: 2-[4-[3-tert-butyl-5-[4-[4-(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-4,6-bis[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenol;platinum
• PubChem CID: 153480011
• Molecular Formula: C61H66N3OPt-
• Molecular Weight: 1071.41 g/mol
• Exact Mass: 1070.61
• IUPAC Name: 2-[4-[3-tert-butyl-5-[4-[4-(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-4,6-bis[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenol;platinum
• SMILES: [2H]C(C)(C)c1ccc(-c2ccnc(-c3[c-]c(-c4cccc5c4nc(-c4cc(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])c4O)n5-c4ccc(-c5ccccc5)cc4C(C)(C)C)cc(C(C)(C)C)c3)c2)cc1.[Pt]
• InChI: InChI=1S/C61H66N3O.Pt/c1-38(2)39-23-25-41(26-24-39)43-29-30-62-52(35-43)45-31-44(32-46(33-45)58(3,4)5)48-21-18-22-54-55(48)63-57(49-36-47(59(6,7)8)37-51(56(49)65)61(12,13)14)64(54)53-28-27-42(34-50(53)60(9,10)11)40-19-16-15-17-20-40;/h15-30,32-38,65H,1-14H3;/q-1;/i6D3,7D3,8D3,12D3,13D3,14D3,38D
• InChIKey: QFPCXJBMNOUYPN-ZASLXGOKSA-N
• XLogP: 16.57
• 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	1071.41
LogP ≤ 5	16.57
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-tert-butyl-5-[4-[4-(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-4,6-bis[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenol;platinum?

The IUPAC name of 2-[4-[3-tert-butyl-5-[4-[4-(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-4,6-bis[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenol;platinum (CID 153480011) is 2-[4-[3-tert-butyl-5-[4-[4-(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-4,6-bis[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenol;platinum.

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

The canonical SMILES for 2-[4-[3-tert-butyl-5-[4-[4-(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-4,6-bis[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenol;platinum is [2H]C(C)(C)c1ccc(-c2ccnc(-c3[c-]c(-c4cccc5c4nc(-c4cc(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])c4O)n5-c4ccc(-c5ccccc5)cc4C(C)(C)C)cc(C(C)(C)C)c3)c2)cc1.[Pt].

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

The InChIKey is QFPCXJBMNOUYPN-ZASLXGOKSA-N. The full InChI is InChI=1S/C61H66N3O.Pt/c1-38(2)39-23-25-41(26-24-39)43-29-30-62-52(35-43)45-31-44(32-46(33-45)58(3,4)5)48-21-18-22-54-55(48)63-57(49-36-47(59(6,7)8)37-51(56(49)65)61(12,13)14)64(54)53-28-27-42(34-50(53)60(9,10)11)40-19-16-15-17-20-40;/h15-30,32-38,65H,1-14H3;/q-1;/i6D3,7D3,8D3,12D3,13D3,14D3,38D;.

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

2-[4-[3-tert-butyl-5-[4-[4-(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-4,6-bis[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenol;platinum has a molecular weight of 1071.41 g/mol, XLogP of 16.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[3-tert-butyl-5-[4-[4-(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-4,6-bis[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenol;platinum is sourced from PubChem (CID 153480011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).