2-[4-[3-tert-butyl-5-[3,5,6-trideuterio-4-[2,3,5,6-tetradeuterio-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-(3-ethyl-4-phenylphenyl)benzimidazol-2-yl]-4,6-dimethylphenol;platinum

C54H52N3OPt- — CID 176722991

About 2-[4-[3-tert-butyl-5-[3,5,6-trideuterio-4-[2,3,5,6-tetradeuterio-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-(3-ethyl-4-phenylphenyl)benzimidazol-2-yl]-4,6-dimethylphenol;platinum

2-[4-[3-tert-butyl-5-[3,5,6-trideuterio-4-[2,3,5,6-tetradeuterio-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-(3-ethyl-4-phenylphenyl)benzimidazol-2-yl]-4,6-dimethylphenol;platinum (PubChem CID 176722991) has the molecular formula C54H52N3OPt- and a molecular weight of 970.21 g/mol. Its IUPAC name is 2-[4-[3-tert-butyl-5-[3,5,6-trideuterio-4-[2,3,5,6-tetradeuterio-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-(3-ethyl-4-phenylphenyl)benzimidazol-2-yl]-4,6-dimethylphenol;platinum.

Molecular Properties

• Compound Name: 2-[4-[3-tert-butyl-5-[3,5,6-trideuterio-4-[2,3,5,6-tetradeuterio-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-(3-ethyl-4-phenylphenyl)benzimidazol-2-yl]-4,6-dimethylphenol;platinum
• PubChem CID: 176722991
• Molecular Formula: C54H52N3OPt-
• Molecular Weight: 970.21 g/mol
• Exact Mass: 969.48
• IUPAC Name: 2-[4-[3-tert-butyl-5-[3,5,6-trideuterio-4-[2,3,5,6-tetradeuterio-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-(3-ethyl-4-phenylphenyl)benzimidazol-2-yl]-4,6-dimethylphenol;platinum
• SMILES: [2H]c1nc(-c2[c-]c(-c3cccc4c3nc(-c3cc(C)cc(C)c3O)n4-c3ccc(-c4ccccc4)c(CC)c3)cc(C(C)(C)C)c2)c([2H])c(-c2c([2H])c([2H])c(C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])c([2H])c2[2H])c1[2H].[Pt]
• InChI: InChI=1S/C54H52N3O.Pt/c1-10-36-32-44(23-24-45(36)38-15-12-11-13-16-38)57-49-18-14-17-46(50(49)56-52(57)47-28-34(2)27-35(3)51(47)58)40-29-41(31-43(30-40)54(7,8)9)48-33-39(25-26-55-48)37-19-21-42(22-20-37)53(4,5)6;/h11-28,30-33,58H,10H2,1-9H3;/q-1;/i4D3,5D3,6D3,19D,20D,21D,22D,25D,26D,33D
• InChIKey: MDRHFNDILCGVOH-JPNMVGJDSA-N
• XLogP: 14.03
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	970.21
LogP ≤ 5	14.03
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-[3,5,6-trideuterio-4-[2,3,5,6-tetradeuterio-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-(3-ethyl-4-phenylphenyl)benzimidazol-2-yl]-4,6-dimethylphenol;platinum?

The IUPAC name of 2-[4-[3-tert-butyl-5-[3,5,6-trideuterio-4-[2,3,5,6-tetradeuterio-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-(3-ethyl-4-phenylphenyl)benzimidazol-2-yl]-4,6-dimethylphenol;platinum (CID 176722991) is 2-[4-[3-tert-butyl-5-[3,5,6-trideuterio-4-[2,3,5,6-tetradeuterio-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-(3-ethyl-4-phenylphenyl)benzimidazol-2-yl]-4,6-dimethylphenol;platinum.

What is the SMILES notation for 2-[4-[3-tert-butyl-5-[3,5,6-trideuterio-4-[2,3,5,6-tetradeuterio-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-(3-ethyl-4-phenylphenyl)benzimidazol-2-yl]-4,6-dimethylphenol;platinum?

The canonical SMILES for 2-[4-[3-tert-butyl-5-[3,5,6-trideuterio-4-[2,3,5,6-tetradeuterio-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-(3-ethyl-4-phenylphenyl)benzimidazol-2-yl]-4,6-dimethylphenol;platinum is [2H]c1nc(-c2[c-]c(-c3cccc4c3nc(-c3cc(C)cc(C)c3O)n4-c3ccc(-c4ccccc4)c(CC)c3)cc(C(C)(C)C)c2)c([2H])c(-c2c([2H])c([2H])c(C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])c([2H])c2[2H])c1[2H].[Pt].

What is the InChIKey of 2-[4-[3-tert-butyl-5-[3,5,6-trideuterio-4-[2,3,5,6-tetradeuterio-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-(3-ethyl-4-phenylphenyl)benzimidazol-2-yl]-4,6-dimethylphenol;platinum?

The InChIKey is MDRHFNDILCGVOH-JPNMVGJDSA-N. The full InChI is InChI=1S/C54H52N3O.Pt/c1-10-36-32-44(23-24-45(36)38-15-12-11-13-16-38)57-49-18-14-17-46(50(49)56-52(57)47-28-34(2)27-35(3)51(47)58)40-29-41(31-43(30-40)54(7,8)9)48-33-39(25-26-55-48)37-19-21-42(22-20-37)53(4,5)6;/h11-28,30-33,58H,10H2,1-9H3;/q-1;/i4D3,5D3,6D3,19D,20D,21D,22D,25D,26D,33D;.

What are the key properties of 2-[4-[3-tert-butyl-5-[3,5,6-trideuterio-4-[2,3,5,6-tetradeuterio-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-(3-ethyl-4-phenylphenyl)benzimidazol-2-yl]-4,6-dimethylphenol;platinum?

2-[4-[3-tert-butyl-5-[3,5,6-trideuterio-4-[2,3,5,6-tetradeuterio-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-(3-ethyl-4-phenylphenyl)benzimidazol-2-yl]-4,6-dimethylphenol;platinum has a molecular weight of 970.21 g/mol, XLogP of 14.03, 7 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-[3,5,6-trideuterio-4-[2,3,5,6-tetradeuterio-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-(3-ethyl-4-phenylphenyl)benzimidazol-2-yl]-4,6-dimethylphenol;platinum is sourced from PubChem (CID 176722991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).