4-tert-butyl-2-[4-[3-tert-butyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[4-[cyclopentyl(dideuterio)methyl]-2-phenylphenyl]benzimidazol-2-yl]phenol;platinum

C57H56N3OPt- — CID 176593525

About 4-tert-butyl-2-[4-[3-tert-butyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[4-[cyclopentyl(dideuterio)methyl]-2-phenylphenyl]benzimidazol-2-yl]phenol;platinum

4-tert-butyl-2-[4-[3-tert-butyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[4-[cyclopentyl(dideuterio)methyl]-2-phenylphenyl]benzimidazol-2-yl]phenol;platinum (PubChem CID 176593525) has the molecular formula C57H56N3OPt- and a molecular weight of 999.20 g/mol. Its IUPAC name is 4-tert-butyl-2-[4-[3-tert-butyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[4-[cyclopentyl(dideuterio)methyl]-2-phenylphenyl]benzimidazol-2-yl]phenol;platinum.

Molecular Properties

• Compound Name: 4-tert-butyl-2-[4-[3-tert-butyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[4-[cyclopentyl(dideuterio)methyl]-2-phenylphenyl]benzimidazol-2-yl]phenol;platinum
• PubChem CID: 176593525
• Molecular Formula: C57H56N3OPt-
• Molecular Weight: 999.20 g/mol
• Exact Mass: 998.44
• IUPAC Name: 4-tert-butyl-2-[4-[3-tert-butyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[4-[cyclopentyl(dideuterio)methyl]-2-phenylphenyl]benzimidazol-2-yl]phenol;platinum
• SMILES: [2H]C([2H])([2H])c1ccc(-c2ccnc(-c3[c-]c(-c4cccc5c4nc(-c4cc(C(C)(C)C)ccc4O)n5-c4ccc(C([2H])([2H])C5CCCC5)cc4-c4ccccc4)cc(C(C)(C)C)c3)c2)cc1.[Pt]
• InChI: InChI=1S/C57H56N3O.Pt/c1-37-20-23-40(24-21-37)42-28-29-58-50(35-42)44-32-43(33-46(34-44)57(5,6)7)47-18-13-19-52-54(47)59-55(49-36-45(56(2,3)4)25-27-53(49)61)60(52)51-26-22-39(30-38-14-11-12-15-38)31-48(51)41-16-9-8-10-17-41;/h8-10,13,16-29,31,33-36,38,61H,11-12,14-15,30H2,1-7H3;/q-1;/i1D3,30D2
• InChIKey: NYDTYNXPHZVEMP-AOSPTQNHSA-N
• XLogP: 14.89
• 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	999.20
LogP ≤ 5	14.89
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 4-tert-butyl-2-[4-[3-tert-butyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[4-[cyclopentyl(dideuterio)methyl]-2-phenylphenyl]benzimidazol-2-yl]phenol;platinum?

The IUPAC name of 4-tert-butyl-2-[4-[3-tert-butyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[4-[cyclopentyl(dideuterio)methyl]-2-phenylphenyl]benzimidazol-2-yl]phenol;platinum (CID 176593525) is 4-tert-butyl-2-[4-[3-tert-butyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[4-[cyclopentyl(dideuterio)methyl]-2-phenylphenyl]benzimidazol-2-yl]phenol;platinum.

What is the SMILES notation for 4-tert-butyl-2-[4-[3-tert-butyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[4-[cyclopentyl(dideuterio)methyl]-2-phenylphenyl]benzimidazol-2-yl]phenol;platinum?

The canonical SMILES for 4-tert-butyl-2-[4-[3-tert-butyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[4-[cyclopentyl(dideuterio)methyl]-2-phenylphenyl]benzimidazol-2-yl]phenol;platinum is [2H]C([2H])([2H])c1ccc(-c2ccnc(-c3[c-]c(-c4cccc5c4nc(-c4cc(C(C)(C)C)ccc4O)n5-c4ccc(C([2H])([2H])C5CCCC5)cc4-c4ccccc4)cc(C(C)(C)C)c3)c2)cc1.[Pt].

What is the InChIKey of 4-tert-butyl-2-[4-[3-tert-butyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[4-[cyclopentyl(dideuterio)methyl]-2-phenylphenyl]benzimidazol-2-yl]phenol;platinum?

The InChIKey is NYDTYNXPHZVEMP-AOSPTQNHSA-N. The full InChI is InChI=1S/C57H56N3O.Pt/c1-37-20-23-40(24-21-37)42-28-29-58-50(35-42)44-32-43(33-46(34-44)57(5,6)7)47-18-13-19-52-54(47)59-55(49-36-45(56(2,3)4)25-27-53(49)61)60(52)51-26-22-39(30-38-14-11-12-15-38)31-48(51)41-16-9-8-10-17-41;/h8-10,13,16-29,31,33-36,38,61H,11-12,14-15,30H2,1-7H3;/q-1;/i1D3,30D2;.

What are the key properties of 4-tert-butyl-2-[4-[3-tert-butyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[4-[cyclopentyl(dideuterio)methyl]-2-phenylphenyl]benzimidazol-2-yl]phenol;platinum?

4-tert-butyl-2-[4-[3-tert-butyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[4-[cyclopentyl(dideuterio)methyl]-2-phenylphenyl]benzimidazol-2-yl]phenol;platinum has a molecular weight of 999.20 g/mol, XLogP of 14.89, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-2-[4-[3-tert-butyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[4-[cyclopentyl(dideuterio)methyl]-2-phenylphenyl]benzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 176593525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).