2-[1-[4-[2,6-bis(3-methylpentan-3-yl)phenyl]-2-(trideuteriomethyl)phenyl]-4-[3-tert-butyl-5-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-ditert-butylphenol;platinum

C67H78N3OPt- — CID 153478845

About 2-[1-[4-[2,6-bis(3-methylpentan-3-yl)phenyl]-2-(trideuteriomethyl)phenyl]-4-[3-tert-butyl-5-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-ditert-butylphenol;platinum

2-[1-[4-[2,6-bis(3-methylpentan-3-yl)phenyl]-2-(trideuteriomethyl)phenyl]-4-[3-tert-butyl-5-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-ditert-butylphenol;platinum (PubChem CID 153478845) has the molecular formula C67H78N3OPt- and a molecular weight of 1144.51 g/mol. Its IUPAC name is 2-[1-[4-[2,6-bis(3-methylpentan-3-yl)phenyl]-2-(trideuteriomethyl)phenyl]-4-[3-tert-butyl-5-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-ditert-butylphenol;platinum.

Molecular Properties

• Compound Name: 2-[1-[4-[2,6-bis(3-methylpentan-3-yl)phenyl]-2-(trideuteriomethyl)phenyl]-4-[3-tert-butyl-5-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-ditert-butylphenol;platinum
• PubChem CID: 153478845
• Molecular Formula: C67H78N3OPt-
• Molecular Weight: 1144.51 g/mol
• Exact Mass: 1143.63
• IUPAC Name: 2-[1-[4-[2,6-bis(3-methylpentan-3-yl)phenyl]-2-(trideuteriomethyl)phenyl]-4-[3-tert-butyl-5-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-ditert-butylphenol;platinum
• SMILES: [2H]c1c([2H])c([2H])c(-c2ccnc(-c3[c-]c(-c4cccc5c4nc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4O)n5-c4ccc(-c5c(C(C)(CC)CC)cccc5C(C)(CC)CC)cc4C([2H])([2H])[2H])cc(C(C)(C)C)c3)c2)c([2H])c1[2H].[Pt]
• InChI: InChI=1S/C67H78N3O.Pt/c1-17-66(15,18-2)53-29-25-30-54(67(16,19-3)20-4)59(53)46-32-33-57(43(5)36-46)70-58-31-24-28-51(60(58)69-62(70)52-41-50(64(9,10)11)42-55(61(52)71)65(12,13)14)47-37-48(39-49(38-47)63(6,7)8)56-40-45(34-35-68-56)44-26-22-21-23-27-44;/h21-36,38-42,71H,17-20H2,1-16H3;/q-1;/i5D3,21D,22D,23D,26D,27D
• InChIKey: OIBNHXFAQPPWPU-XMEPFMMWSA-N
• XLogP: 18.62
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 13
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1144.51
LogP ≤ 5	18.62
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-[2,6-bis(3-methylpentan-3-yl)phenyl]-2-(trideuteriomethyl)phenyl]-4-[3-tert-butyl-5-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-ditert-butylphenol;platinum?

The IUPAC name of 2-[1-[4-[2,6-bis(3-methylpentan-3-yl)phenyl]-2-(trideuteriomethyl)phenyl]-4-[3-tert-butyl-5-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-ditert-butylphenol;platinum (CID 153478845) is 2-[1-[4-[2,6-bis(3-methylpentan-3-yl)phenyl]-2-(trideuteriomethyl)phenyl]-4-[3-tert-butyl-5-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-ditert-butylphenol;platinum.

What is the SMILES notation for 2-[1-[4-[2,6-bis(3-methylpentan-3-yl)phenyl]-2-(trideuteriomethyl)phenyl]-4-[3-tert-butyl-5-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-ditert-butylphenol;platinum?

The canonical SMILES for 2-[1-[4-[2,6-bis(3-methylpentan-3-yl)phenyl]-2-(trideuteriomethyl)phenyl]-4-[3-tert-butyl-5-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-ditert-butylphenol;platinum is [2H]c1c([2H])c([2H])c(-c2ccnc(-c3[c-]c(-c4cccc5c4nc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4O)n5-c4ccc(-c5c(C(C)(CC)CC)cccc5C(C)(CC)CC)cc4C([2H])([2H])[2H])cc(C(C)(C)C)c3)c2)c([2H])c1[2H].[Pt].

What is the InChIKey of 2-[1-[4-[2,6-bis(3-methylpentan-3-yl)phenyl]-2-(trideuteriomethyl)phenyl]-4-[3-tert-butyl-5-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-ditert-butylphenol;platinum?

The InChIKey is OIBNHXFAQPPWPU-XMEPFMMWSA-N. The full InChI is InChI=1S/C67H78N3O.Pt/c1-17-66(15,18-2)53-29-25-30-54(67(16,19-3)20-4)59(53)46-32-33-57(43(5)36-46)70-58-31-24-28-51(60(58)69-62(70)52-41-50(64(9,10)11)42-55(61(52)71)65(12,13)14)47-37-48(39-49(38-47)63(6,7)8)56-40-45(34-35-68-56)44-26-22-21-23-27-44;/h21-36,38-42,71H,17-20H2,1-16H3;/q-1;/i5D3,21D,22D,23D,26D,27D;.

What are the key properties of 2-[1-[4-[2,6-bis(3-methylpentan-3-yl)phenyl]-2-(trideuteriomethyl)phenyl]-4-[3-tert-butyl-5-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-ditert-butylphenol;platinum?

2-[1-[4-[2,6-bis(3-methylpentan-3-yl)phenyl]-2-(trideuteriomethyl)phenyl]-4-[3-tert-butyl-5-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-ditert-butylphenol;platinum has a molecular weight of 1144.51 g/mol, XLogP of 18.62, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[4-[2,6-bis(3-methylpentan-3-yl)phenyl]-2-(trideuteriomethyl)phenyl]-4-[3-tert-butyl-5-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-ditert-butylphenol;platinum is sourced from PubChem (CID 153478845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).