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

C59H62N3OPt- — CID 153478505

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

2-[1-[4-[2,6-bis(2-deuteriopropan-2-yl)phenyl]-2-(trideuteriomethyl)phenyl]-4-[3-tert-butyl-5-[3,5,6-trideuterio-4-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-bis(2-deuteriopropan-2-yl)phenol;platinum (PubChem CID 153478505) has the molecular formula C59H62N3OPt- and a molecular weight of 1039.33 g/mol. Its IUPAC name is 2-[1-[4-[2,6-bis(2-deuteriopropan-2-yl)phenyl]-2-(trideuteriomethyl)phenyl]-4-[3-tert-butyl-5-[3,5,6-trideuterio-4-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-bis(2-deuteriopropan-2-yl)phenol;platinum.

Molecular Properties

• Compound Name: 2-[1-[4-[2,6-bis(2-deuteriopropan-2-yl)phenyl]-2-(trideuteriomethyl)phenyl]-4-[3-tert-butyl-5-[3,5,6-trideuterio-4-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-bis(2-deuteriopropan-2-yl)phenol;platinum
• PubChem CID: 153478505
• Molecular Formula: C59H62N3OPt-
• Molecular Weight: 1039.33 g/mol
• Exact Mass: 1038.55
• IUPAC Name: 2-[1-[4-[2,6-bis(2-deuteriopropan-2-yl)phenyl]-2-(trideuteriomethyl)phenyl]-4-[3-tert-butyl-5-[3,5,6-trideuterio-4-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-bis(2-deuteriopropan-2-yl)phenol;platinum
• SMILES: [2H]c1nc(-c2[c-]c(-c3cccc4c3nc(-c3cc(C([2H])(C)C)cc(C([2H])(C)C)c3O)n4-c3ccc(-c4c(C([2H])(C)C)cccc4C([2H])(C)C)cc3C([2H])([2H])[2H])cc(C(C)(C)C)c2)c([2H])c(-c2c([2H])c([2H])c([2H])c([2H])c2[2H])c1[2H].[Pt]
• InChI: InChI=1S/C59H62N3O.Pt/c1-35(2)43-32-50(38(7)8)57(63)51(33-43)58-61-56-49(44-29-45(31-46(30-44)59(10,11)12)52-34-41(26-27-60-52)40-18-14-13-15-19-40)22-17-23-54(56)62(58)53-25-24-42(28-39(53)9)55-47(36(3)4)20-16-21-48(55)37(5)6;/h13-28,30-38,63H,1-12H3;/q-1;/i9D3,13D,14D,15D,18D,19D,26D,27D,34D,35D,36D,37D,38D
• InChIKey: HYLQHJPMCCPNKZ-GFJAWRCSSA-N
• XLogP: 16.36
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1039.33
LogP ≤ 5	16.36
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-[4-[2,6-bis(2-deuteriopropan-2-yl)phenyl]-2-(trideuteriomethyl)phenyl]-4-[3-tert-butyl-5-[3,5,6-trideuterio-4-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-bis(2-deuteriopropan-2-yl)phenol;platinum?

The IUPAC name of 2-[1-[4-[2,6-bis(2-deuteriopropan-2-yl)phenyl]-2-(trideuteriomethyl)phenyl]-4-[3-tert-butyl-5-[3,5,6-trideuterio-4-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-bis(2-deuteriopropan-2-yl)phenol;platinum (CID 153478505) is 2-[1-[4-[2,6-bis(2-deuteriopropan-2-yl)phenyl]-2-(trideuteriomethyl)phenyl]-4-[3-tert-butyl-5-[3,5,6-trideuterio-4-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-bis(2-deuteriopropan-2-yl)phenol;platinum.

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

The canonical SMILES for 2-[1-[4-[2,6-bis(2-deuteriopropan-2-yl)phenyl]-2-(trideuteriomethyl)phenyl]-4-[3-tert-butyl-5-[3,5,6-trideuterio-4-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-bis(2-deuteriopropan-2-yl)phenol;platinum is [2H]c1nc(-c2[c-]c(-c3cccc4c3nc(-c3cc(C([2H])(C)C)cc(C([2H])(C)C)c3O)n4-c3ccc(-c4c(C([2H])(C)C)cccc4C([2H])(C)C)cc3C([2H])([2H])[2H])cc(C(C)(C)C)c2)c([2H])c(-c2c([2H])c([2H])c([2H])c([2H])c2[2H])c1[2H].[Pt].

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

The InChIKey is HYLQHJPMCCPNKZ-GFJAWRCSSA-N. The full InChI is InChI=1S/C59H62N3O.Pt/c1-35(2)43-32-50(38(7)8)57(63)51(33-43)58-61-56-49(44-29-45(31-46(30-44)59(10,11)12)52-34-41(26-27-60-52)40-18-14-13-15-19-40)22-17-23-54(56)62(58)53-25-24-42(28-39(53)9)55-47(36(3)4)20-16-21-48(55)37(5)6;/h13-28,30-38,63H,1-12H3;/q-1;/i9D3,13D,14D,15D,18D,19D,26D,27D,34D,35D,36D,37D,38D;.

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

2-[1-[4-[2,6-bis(2-deuteriopropan-2-yl)phenyl]-2-(trideuteriomethyl)phenyl]-4-[3-tert-butyl-5-[3,5,6-trideuterio-4-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-bis(2-deuteriopropan-2-yl)phenol;platinum has a molecular weight of 1039.33 g/mol, XLogP of 16.36, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[4-[2,6-bis(2-deuteriopropan-2-yl)phenyl]-2-(trideuteriomethyl)phenyl]-4-[3-tert-butyl-5-[3,5,6-trideuterio-4-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-bis(2-deuteriopropan-2-yl)phenol;platinum is sourced from PubChem (CID 153478505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).