2-[1-[4-(3-tert-butyl-5-propan-2-ylphenyl)-2-(trideuteriomethyl)phenyl]-4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum

C57H50N3OPt- — CID 167355697

About 2-[1-[4-(3-tert-butyl-5-propan-2-ylphenyl)-2-(trideuteriomethyl)phenyl]-4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum

2-[1-[4-(3-tert-butyl-5-propan-2-ylphenyl)-2-(trideuteriomethyl)phenyl]-4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum (PubChem CID 167355697) has the molecular formula C57H50N3OPt- and a molecular weight of 991.14 g/mol. Its IUPAC name is 2-[1-[4-(3-tert-butyl-5-propan-2-ylphenyl)-2-(trideuteriomethyl)phenyl]-4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum.

Molecular Properties

• Compound Name: 2-[1-[4-(3-tert-butyl-5-propan-2-ylphenyl)-2-(trideuteriomethyl)phenyl]-4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum
• PubChem CID: 167355697
• Molecular Formula: C57H50N3OPt-
• Molecular Weight: 991.14 g/mol
• Exact Mass: 990.38
• IUPAC Name: 2-[1-[4-(3-tert-butyl-5-propan-2-ylphenyl)-2-(trideuteriomethyl)phenyl]-4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum
• SMILES: [2H]C([2H])([2H])c1cc(-c2cc(C(C)C)cc(C(C)(C)C)c2)ccc1-n1c(-c2ccccc2O)nc2c(-c3[c-]c(-c4cc(-c5ccc(C)cc5)ccn4)cc(-c4ccccc4)c3)cccc21.[Pt]
• InChI: InChI=1S/C57H50N3O.Pt/c1-36(2)43-29-45(34-48(33-43)57(5,6)7)41-24-25-52(38(4)28-41)60-53-18-13-17-49(55(53)59-56(60)50-16-11-12-19-54(50)61)46-30-44(39-14-9-8-10-15-39)31-47(32-46)51-35-42(26-27-58-51)40-22-20-37(3)21-23-40;/h8-31,33-36,61H,1-7H3;/q-1;/i4D3
• InChIKey: APZCGBQTKJFFIB-NXIGQQGZSA-N
• XLogP: 14.96
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	991.14
LogP ≤ 5	14.96
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-tert-butyl-5-propan-2-ylphenyl)-2-(trideuteriomethyl)phenyl]-4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum?

The IUPAC name of 2-[1-[4-(3-tert-butyl-5-propan-2-ylphenyl)-2-(trideuteriomethyl)phenyl]-4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum (CID 167355697) is 2-[1-[4-(3-tert-butyl-5-propan-2-ylphenyl)-2-(trideuteriomethyl)phenyl]-4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum.

What is the SMILES notation for 2-[1-[4-(3-tert-butyl-5-propan-2-ylphenyl)-2-(trideuteriomethyl)phenyl]-4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum?

The canonical SMILES for 2-[1-[4-(3-tert-butyl-5-propan-2-ylphenyl)-2-(trideuteriomethyl)phenyl]-4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum is [2H]C([2H])([2H])c1cc(-c2cc(C(C)C)cc(C(C)(C)C)c2)ccc1-n1c(-c2ccccc2O)nc2c(-c3[c-]c(-c4cc(-c5ccc(C)cc5)ccn4)cc(-c4ccccc4)c3)cccc21.[Pt].

What is the InChIKey of 2-[1-[4-(3-tert-butyl-5-propan-2-ylphenyl)-2-(trideuteriomethyl)phenyl]-4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum?

The InChIKey is APZCGBQTKJFFIB-NXIGQQGZSA-N. The full InChI is InChI=1S/C57H50N3O.Pt/c1-36(2)43-29-45(34-48(33-43)57(5,6)7)41-24-25-52(38(4)28-41)60-53-18-13-17-49(55(53)59-56(60)50-16-11-12-19-54(50)61)46-30-44(39-14-9-8-10-15-39)31-47(32-46)51-35-42(26-27-58-51)40-22-20-37(3)21-23-40;/h8-31,33-36,61H,1-7H3;/q-1;/i4D3;.

What are the key properties of 2-[1-[4-(3-tert-butyl-5-propan-2-ylphenyl)-2-(trideuteriomethyl)phenyl]-4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum?

2-[1-[4-(3-tert-butyl-5-propan-2-ylphenyl)-2-(trideuteriomethyl)phenyl]-4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum has a molecular weight of 991.14 g/mol, XLogP of 14.96, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[4-(3-tert-butyl-5-propan-2-ylphenyl)-2-(trideuteriomethyl)phenyl]-4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 167355697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).