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

C67H71N3OPt — CID 176722900

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

2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]-1-[4-[2-(2-deuteriopropan-2-yl)-6-propan-2-ylphenyl]-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]phenol;platinum (PubChem CID 176722900) has the molecular formula C67H71N3OPt and a molecular weight of 1133.43 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]-1-[4-[2-(2-deuteriopropan-2-yl)-6-propan-2-ylphenyl]-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]phenol;platinum.

Molecular Properties

• Compound Name: 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]-1-[4-[2-(2-deuteriopropan-2-yl)-6-propan-2-ylphenyl]-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]phenol;platinum
• PubChem CID: 176722900
• Molecular Formula: C67H71N3OPt
• Molecular Weight: 1133.43 g/mol
• Exact Mass: 1132.55
• IUPAC Name: 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]-1-[4-[2-(2-deuteriopropan-2-yl)-6-propan-2-ylphenyl]-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]phenol;platinum
• SMILES: [2H]C([2H])([2H])c1cc(-c2c(C(C)C)cccc2C([2H])(C)C)ccc1-n1c(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)nc2c(-c3cc(-c4cc(-c5ccc(-c6ccccc6)cc5)ccn4)cc(C(C)(C)C)c3)cccc21.[Pt]
• InChI: InChI=1S/C67H71N3O.Pt/c1-41(2)53-22-18-23-54(42(3)4)61(53)48-30-31-59(43(5)34-48)70-60-25-19-24-55(62(60)69-64(70)56-39-52(66(9,10)11)40-57(63(56)71)67(12,13)14)49-35-50(37-51(36-49)65(6,7)8)58-38-47(32-33-68-58)46-28-26-45(27-29-46)44-20-16-15-17-21-44;/h15-42,71H,1-14H3;/i5D3,41D
• InChIKey: CHAVIGVSWXHHQP-UDZNRGOBSA-N
• XLogP: 18.57
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1133.43
LogP ≤ 5	18.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]-1-[4-[2-(2-deuteriopropan-2-yl)-6-propan-2-ylphenyl]-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]phenol;platinum?

The IUPAC name of 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]-1-[4-[2-(2-deuteriopropan-2-yl)-6-propan-2-ylphenyl]-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]phenol;platinum (CID 176722900) is 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]-1-[4-[2-(2-deuteriopropan-2-yl)-6-propan-2-ylphenyl]-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]phenol;platinum.

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

The canonical SMILES for 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]-1-[4-[2-(2-deuteriopropan-2-yl)-6-propan-2-ylphenyl]-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]phenol;platinum is [2H]C([2H])([2H])c1cc(-c2c(C(C)C)cccc2C([2H])(C)C)ccc1-n1c(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)nc2c(-c3cc(-c4cc(-c5ccc(-c6ccccc6)cc5)ccn4)cc(C(C)(C)C)c3)cccc21.[Pt].

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

The InChIKey is CHAVIGVSWXHHQP-UDZNRGOBSA-N. The full InChI is InChI=1S/C67H71N3O.Pt/c1-41(2)53-22-18-23-54(42(3)4)61(53)48-30-31-59(43(5)34-48)70-60-25-19-24-55(62(60)69-64(70)56-39-52(66(9,10)11)40-57(63(56)71)67(12,13)14)49-35-50(37-51(36-49)65(6,7)8)58-38-47(32-33-68-58)46-28-26-45(27-29-46)44-20-16-15-17-21-44;/h15-42,71H,1-14H3;/i5D3,41D;.

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

2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]-1-[4-[2-(2-deuteriopropan-2-yl)-6-propan-2-ylphenyl]-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]phenol;platinum has a molecular weight of 1133.43 g/mol, XLogP of 18.57, 10 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-[4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]-1-[4-[2-(2-deuteriopropan-2-yl)-6-propan-2-ylphenyl]-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 176722900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).