2-[4-[3-tert-butyl-5-[4-(4-tert-butylphenyl)-5-(trideuteriomethyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(4-tert-butyl-2,6-diphenylphenyl)benzimidazol-2-yl]phenol;platinum

C61H58N3OPt- — CID 171424972

About 2-[4-[3-tert-butyl-5-[4-(4-tert-butylphenyl)-5-(trideuteriomethyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(4-tert-butyl-2,6-diphenylphenyl)benzimidazol-2-yl]phenol;platinum

2-[4-[3-tert-butyl-5-[4-(4-tert-butylphenyl)-5-(trideuteriomethyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(4-tert-butyl-2,6-diphenylphenyl)benzimidazol-2-yl]phenol;platinum (PubChem CID 171424972) has the molecular formula C61H58N3OPt- and a molecular weight of 1047.25 g/mol. Its IUPAC name is 2-[4-[3-tert-butyl-5-[4-(4-tert-butylphenyl)-5-(trideuteriomethyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(4-tert-butyl-2,6-diphenylphenyl)benzimidazol-2-yl]phenol;platinum.

Molecular Properties

• Compound Name: 2-[4-[3-tert-butyl-5-[4-(4-tert-butylphenyl)-5-(trideuteriomethyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(4-tert-butyl-2,6-diphenylphenyl)benzimidazol-2-yl]phenol;platinum
• PubChem CID: 171424972
• Molecular Formula: C61H58N3OPt-
• Molecular Weight: 1047.25 g/mol
• Exact Mass: 1046.44
• IUPAC Name: 2-[4-[3-tert-butyl-5-[4-(4-tert-butylphenyl)-5-(trideuteriomethyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(4-tert-butyl-2,6-diphenylphenyl)benzimidazol-2-yl]phenol;platinum
• SMILES: [2H]C([2H])([2H])c1cnc(-c2[c-]c(-c3cccc4c3nc(-c3ccccc3O)n4-c3c(-c4ccccc4)cc(C(C)(C)C)cc3-c3ccccc3)cc(C(C)(C)C)c2)cc1-c1ccc(C(C)(C)C)cc1.[Pt]
• InChI: InChI=1S/C61H58N3O.Pt/c1-39-38-62-53(37-50(39)42-28-30-45(31-29-42)59(2,3)4)44-32-43(33-46(34-44)60(5,6)7)48-25-19-26-54-56(48)63-58(49-24-17-18-27-55(49)65)64(54)57-51(40-20-13-11-14-21-40)35-47(61(8,9)10)36-52(57)41-22-15-12-16-23-41;/h11-31,33-38,65H,1-10H3;/q-1;/i1D3
• InChIKey: YTDVLZWJKBSLCP-NIIDSAIPSA-N
• XLogP: 16.13
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1047.25
LogP ≤ 5	16.13
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-[4-[3-tert-butyl-5-[4-(4-tert-butylphenyl)-5-(trideuteriomethyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(4-tert-butyl-2,6-diphenylphenyl)benzimidazol-2-yl]phenol;platinum?

The IUPAC name of 2-[4-[3-tert-butyl-5-[4-(4-tert-butylphenyl)-5-(trideuteriomethyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(4-tert-butyl-2,6-diphenylphenyl)benzimidazol-2-yl]phenol;platinum (CID 171424972) is 2-[4-[3-tert-butyl-5-[4-(4-tert-butylphenyl)-5-(trideuteriomethyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(4-tert-butyl-2,6-diphenylphenyl)benzimidazol-2-yl]phenol;platinum.

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

The canonical SMILES for 2-[4-[3-tert-butyl-5-[4-(4-tert-butylphenyl)-5-(trideuteriomethyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(4-tert-butyl-2,6-diphenylphenyl)benzimidazol-2-yl]phenol;platinum is [2H]C([2H])([2H])c1cnc(-c2[c-]c(-c3cccc4c3nc(-c3ccccc3O)n4-c3c(-c4ccccc4)cc(C(C)(C)C)cc3-c3ccccc3)cc(C(C)(C)C)c2)cc1-c1ccc(C(C)(C)C)cc1.[Pt].

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

The InChIKey is YTDVLZWJKBSLCP-NIIDSAIPSA-N. The full InChI is InChI=1S/C61H58N3O.Pt/c1-39-38-62-53(37-50(39)42-28-30-45(31-29-42)59(2,3)4)44-32-43(33-46(34-44)60(5,6)7)48-25-19-26-54-56(48)63-58(49-24-17-18-27-55(49)65)64(54)57-51(40-20-13-11-14-21-40)35-47(61(8,9)10)36-52(57)41-22-15-12-16-23-41;/h11-31,33-38,65H,1-10H3;/q-1;/i1D3;.

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

2-[4-[3-tert-butyl-5-[4-(4-tert-butylphenyl)-5-(trideuteriomethyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(4-tert-butyl-2,6-diphenylphenyl)benzimidazol-2-yl]phenol;platinum has a molecular weight of 1047.25 g/mol, XLogP of 16.13, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[3-tert-butyl-5-[4-(4-tert-butylphenyl)-5-(trideuteriomethyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(4-tert-butyl-2,6-diphenylphenyl)benzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 171424972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).