2-[1-[4-[2,6-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]-4,6-bis(2-deuteriopropan-2-yl)phenol;platinum

C62H68N3OPt- — CID 153480254

About 2-[1-[4-[2,6-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]-4,6-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-[4-[4-(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-bis(2-deuteriopropan-2-yl)phenol;platinum (PubChem CID 153480254) has the molecular formula C62H68N3OPt- and a molecular weight of 1074.37 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-[4-[4-(2-deuteriopropan-2-yl)phenyl]-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-[4-[4-(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-bis(2-deuteriopropan-2-yl)phenol;platinum
• PubChem CID: 153480254
• Molecular Formula: C62H68N3OPt-
• Molecular Weight: 1074.37 g/mol
• Exact Mass: 1073.55
• IUPAC Name: 2-[1-[4-[2,6-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]-4,6-bis(2-deuteriopropan-2-yl)phenol;platinum
• SMILES: [2H]C([2H])([2H])c1cc(-c2c(C([2H])(C)C)cccc2C([2H])(C)C)ccc1-n1c(-c2cc(C([2H])(C)C)cc(C([2H])(C)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/C62H68N3O.Pt/c1-36(2)42-21-23-43(24-22-42)44-27-28-63-55(35-44)48-30-47(31-49(32-48)62(12,13)14)52-19-16-20-57-59(52)64-61(54-34-46(37(3)4)33-53(40(9)10)60(54)66)65(57)56-26-25-45(29-41(56)11)58-50(38(5)6)17-15-18-51(58)39(7)8;/h15-29,31-40,66H,1-14H3;/q-1;/i11D3,36D,37D,38D,39D,40D
• InChIKey: AHKIVIRXGYVZRV-AQTFSYNXSA-N
• XLogP: 17.48
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1074.37
LogP ≤ 5	17.48
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-[4-[4-(2-deuteriopropan-2-yl)phenyl]-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-[4-[4-(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-bis(2-deuteriopropan-2-yl)phenol;platinum (CID 153480254) is 2-[1-[4-[2,6-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]-4,6-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-[4-[4-(2-deuteriopropan-2-yl)phenyl]-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-[4-[4-(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-bis(2-deuteriopropan-2-yl)phenol;platinum is [2H]C([2H])([2H])c1cc(-c2c(C([2H])(C)C)cccc2C([2H])(C)C)ccc1-n1c(-c2cc(C([2H])(C)C)cc(C([2H])(C)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-[2,6-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]-4,6-bis(2-deuteriopropan-2-yl)phenol;platinum?

The InChIKey is AHKIVIRXGYVZRV-AQTFSYNXSA-N. The full InChI is InChI=1S/C62H68N3O.Pt/c1-36(2)42-21-23-43(24-22-42)44-27-28-63-55(35-44)48-30-47(31-49(32-48)62(12,13)14)52-19-16-20-57-59(52)64-61(54-34-46(37(3)4)33-53(40(9)10)60(54)66)65(57)56-26-25-45(29-41(56)11)58-50(38(5)6)17-15-18-51(58)39(7)8;/h15-29,31-40,66H,1-14H3;/q-1;/i11D3,36D,37D,38D,39D,40D;.

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-[4-[4-(2-deuteriopropan-2-yl)phenyl]-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-[4-[4-(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-bis(2-deuteriopropan-2-yl)phenol;platinum has a molecular weight of 1074.37 g/mol, XLogP of 17.48, 12 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-[4-[4-(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-bis(2-deuteriopropan-2-yl)phenol;platinum is sourced from PubChem (CID 153480254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).