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

C61H66N3OPt- — CID 167332681

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

2-[1-[4-[3,5-bis(2-deuteriopropan-2-yl)phenyl]-2-(trideuteriomethyl)phenyl]-4-[3-tert-butyl-5-[4-[4-(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4-tert-butyl-6-methylphenol;platinum (PubChem CID 167332681) has the molecular formula C61H66N3OPt- and a molecular weight of 1058.33 g/mol. Its IUPAC name is 2-[1-[4-[3,5-bis(2-deuteriopropan-2-yl)phenyl]-2-(trideuteriomethyl)phenyl]-4-[3-tert-butyl-5-[4-[4-(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4-tert-butyl-6-methylphenol;platinum.

Molecular Properties

• Compound Name: 2-[1-[4-[3,5-bis(2-deuteriopropan-2-yl)phenyl]-2-(trideuteriomethyl)phenyl]-4-[3-tert-butyl-5-[4-[4-(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4-tert-butyl-6-methylphenol;platinum
• PubChem CID: 167332681
• Molecular Formula: C61H66N3OPt-
• Molecular Weight: 1058.33 g/mol
• Exact Mass: 1057.52
• IUPAC Name: 2-[1-[4-[3,5-bis(2-deuteriopropan-2-yl)phenyl]-2-(trideuteriomethyl)phenyl]-4-[3-tert-butyl-5-[4-[4-(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4-tert-butyl-6-methylphenol;platinum
• SMILES: [2H]C([2H])([2H])c1cc(-c2cc(C([2H])(C)C)cc(C([2H])(C)C)c2)ccc1-n1c(-c2cc(C(C)(C)C)cc(C)c2O)nc2c(-c3[c-]c(-c4cc(-c5ccc(C([2H])(C)C)cc5)ccn4)cc(C(C)(C)C)c3)cccc21.[Pt]
• InChI: InChI=1S/C61H66N3O.Pt/c1-36(2)41-18-20-42(21-19-41)44-24-25-62-54(34-44)49-31-48(32-51(33-49)61(12,13)14)52-16-15-17-56-57(52)63-59(53-35-50(60(9,10)11)27-40(8)58(53)65)64(56)55-23-22-43(26-39(55)7)47-29-45(37(3)4)28-46(30-47)38(5)6;/h15-30,32-38,65H,1-14H3;/q-1;/i7D3,36D,37D,38D
• InChIKey: LMWWVYPXVUBDGF-CSGMCUIUSA-N
• XLogP: 16.84
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1058.33
LogP ≤ 5	16.84
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-[3,5-bis(2-deuteriopropan-2-yl)phenyl]-2-(trideuteriomethyl)phenyl]-4-[3-tert-butyl-5-[4-[4-(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4-tert-butyl-6-methylphenol;platinum?

The IUPAC name of 2-[1-[4-[3,5-bis(2-deuteriopropan-2-yl)phenyl]-2-(trideuteriomethyl)phenyl]-4-[3-tert-butyl-5-[4-[4-(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4-tert-butyl-6-methylphenol;platinum (CID 167332681) is 2-[1-[4-[3,5-bis(2-deuteriopropan-2-yl)phenyl]-2-(trideuteriomethyl)phenyl]-4-[3-tert-butyl-5-[4-[4-(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4-tert-butyl-6-methylphenol;platinum.

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

The canonical SMILES for 2-[1-[4-[3,5-bis(2-deuteriopropan-2-yl)phenyl]-2-(trideuteriomethyl)phenyl]-4-[3-tert-butyl-5-[4-[4-(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4-tert-butyl-6-methylphenol;platinum is [2H]C([2H])([2H])c1cc(-c2cc(C([2H])(C)C)cc(C([2H])(C)C)c2)ccc1-n1c(-c2cc(C(C)(C)C)cc(C)c2O)nc2c(-c3[c-]c(-c4cc(-c5ccc(C([2H])(C)C)cc5)ccn4)cc(C(C)(C)C)c3)cccc21.[Pt].

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

The InChIKey is LMWWVYPXVUBDGF-CSGMCUIUSA-N. The full InChI is InChI=1S/C61H66N3O.Pt/c1-36(2)41-18-20-42(21-19-41)44-24-25-62-54(34-44)49-31-48(32-51(33-49)61(12,13)14)52-16-15-17-56-57(52)63-59(53-35-50(60(9,10)11)27-40(8)58(53)65)64(56)55-23-22-43(26-39(55)7)47-29-45(37(3)4)28-46(30-47)38(5)6;/h15-30,32-38,65H,1-14H3;/q-1;/i7D3,36D,37D,38D;.

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

2-[1-[4-[3,5-bis(2-deuteriopropan-2-yl)phenyl]-2-(trideuteriomethyl)phenyl]-4-[3-tert-butyl-5-[4-[4-(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4-tert-butyl-6-methylphenol;platinum has a molecular weight of 1058.33 g/mol, XLogP of 16.84, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[4-[3,5-bis(2-deuteriopropan-2-yl)phenyl]-2-(trideuteriomethyl)phenyl]-4-[3-tert-butyl-5-[4-[4-(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4-tert-butyl-6-methylphenol;platinum is sourced from PubChem (CID 167332681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).