4-[2-[3-tert-butyl-5-[1-[2-(4-tert-butylphenyl)-4-(2-deuteriopropan-2-yl)phenyl]-2-[2-hydroxy-3,5-di(propan-2-yl)phenyl]benzimidazol-4-yl]benzene-6-id-1-yl]-3,5,6-trideuterio-4-pyridinyl]-2,3,5,6-tetradeuteriobenzenecarboperoxoic acid;platinum

C60H62N3O4Pt- — CID 167355853

About 4-[2-[3-tert-butyl-5-[1-[2-(4-tert-butylphenyl)-4-(2-deuteriopropan-2-yl)phenyl]-2-[2-hydroxy-3,5-di(propan-2-yl)phenyl]benzimidazol-4-yl]benzene-6-id-1-yl]-3,5,6-trideuterio-4-pyridinyl]-2,3,5,6-tetradeuteriobenzenecarboperoxoic acid;platinum

4-[2-[3-tert-butyl-5-[1-[2-(4-tert-butylphenyl)-4-(2-deuteriopropan-2-yl)phenyl]-2-[2-hydroxy-3,5-di(propan-2-yl)phenyl]benzimidazol-4-yl]benzene-6-id-1-yl]-3,5,6-trideuterio-4-pyridinyl]-2,3,5,6-tetradeuteriobenzenecarboperoxoic acid;platinum (PubChem CID 167355853) has the molecular formula C60H62N3O4Pt- and a molecular weight of 1092.30 g/mol. Its IUPAC name is 4-[2-[3-tert-butyl-5-[1-[2-(4-tert-butylphenyl)-4-(2-deuteriopropan-2-yl)phenyl]-2-[2-hydroxy-3,5-di(propan-2-yl)phenyl]benzimidazol-4-yl]benzene-6-id-1-yl]-3,5,6-trideuterio-4-pyridinyl]-2,3,5,6-tetradeuteriobenzenecarboperoxoic acid;platinum.

Molecular Properties

• Compound Name: 4-[2-[3-tert-butyl-5-[1-[2-(4-tert-butylphenyl)-4-(2-deuteriopropan-2-yl)phenyl]-2-[2-hydroxy-3,5-di(propan-2-yl)phenyl]benzimidazol-4-yl]benzene-6-id-1-yl]-3,5,6-trideuterio-4-pyridinyl]-2,3,5,6-tetradeuteriobenzenecarboperoxoic acid;platinum
• PubChem CID: 167355853
• Molecular Formula: C60H62N3O4Pt-
• Molecular Weight: 1092.30 g/mol
• Exact Mass: 1091.49
• IUPAC Name: 4-[2-[3-tert-butyl-5-[1-[2-(4-tert-butylphenyl)-4-(2-deuteriopropan-2-yl)phenyl]-2-[2-hydroxy-3,5-di(propan-2-yl)phenyl]benzimidazol-4-yl]benzene-6-id-1-yl]-3,5,6-trideuterio-4-pyridinyl]-2,3,5,6-tetradeuteriobenzenecarboperoxoic acid;platinum
• SMILES: [2H]c1nc(-c2[c-]c(-c3cccc4c3nc(-c3cc(C(C)C)cc(C(C)C)c3O)n4-c3ccc(C([2H])(C)C)cc3-c3ccc(C(C)(C)C)cc3)cc(C(C)(C)C)c2)c([2H])c(-c2c([2H])c([2H])c(C(=O)OO)c([2H])c2[2H])c1[2H].[Pt]
• InChI: InChI=1S/C60H62N3O4.Pt/c1-35(2)41-22-25-53(50(31-41)39-20-23-46(24-21-39)59(7,8)9)63-54-15-13-14-48(55(54)62-57(63)51-33-43(36(3)4)32-49(37(5)6)56(51)64)44-28-45(30-47(29-44)60(10,11)12)52-34-42(26-27-61-52)38-16-18-40(19-17-38)58(65)67-66;/h13-27,29-37,64,66H,1-12H3;/q-1;/i16D,17D,18D,19D,26D,27D,34D,35D
• InChIKey: IPVNZMSHGRXAAT-RXWSQMNMSA-N
• XLogP: 15.85
• TPSA: 97.47 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1092.30
LogP ≤ 5	15.85
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-tert-butyl-5-[1-[2-(4-tert-butylphenyl)-4-(2-deuteriopropan-2-yl)phenyl]-2-[2-hydroxy-3,5-di(propan-2-yl)phenyl]benzimidazol-4-yl]benzene-6-id-1-yl]-3,5,6-trideuterio-4-pyridinyl]-2,3,5,6-tetradeuteriobenzenecarboperoxoic acid;platinum?

The IUPAC name of 4-[2-[3-tert-butyl-5-[1-[2-(4-tert-butylphenyl)-4-(2-deuteriopropan-2-yl)phenyl]-2-[2-hydroxy-3,5-di(propan-2-yl)phenyl]benzimidazol-4-yl]benzene-6-id-1-yl]-3,5,6-trideuterio-4-pyridinyl]-2,3,5,6-tetradeuteriobenzenecarboperoxoic acid;platinum (CID 167355853) is 4-[2-[3-tert-butyl-5-[1-[2-(4-tert-butylphenyl)-4-(2-deuteriopropan-2-yl)phenyl]-2-[2-hydroxy-3,5-di(propan-2-yl)phenyl]benzimidazol-4-yl]benzene-6-id-1-yl]-3,5,6-trideuterio-4-pyridinyl]-2,3,5,6-tetradeuteriobenzenecarboperoxoic acid;platinum.

What is the SMILES notation for 4-[2-[3-tert-butyl-5-[1-[2-(4-tert-butylphenyl)-4-(2-deuteriopropan-2-yl)phenyl]-2-[2-hydroxy-3,5-di(propan-2-yl)phenyl]benzimidazol-4-yl]benzene-6-id-1-yl]-3,5,6-trideuterio-4-pyridinyl]-2,3,5,6-tetradeuteriobenzenecarboperoxoic acid;platinum?

The canonical SMILES for 4-[2-[3-tert-butyl-5-[1-[2-(4-tert-butylphenyl)-4-(2-deuteriopropan-2-yl)phenyl]-2-[2-hydroxy-3,5-di(propan-2-yl)phenyl]benzimidazol-4-yl]benzene-6-id-1-yl]-3,5,6-trideuterio-4-pyridinyl]-2,3,5,6-tetradeuteriobenzenecarboperoxoic acid;platinum is [2H]c1nc(-c2[c-]c(-c3cccc4c3nc(-c3cc(C(C)C)cc(C(C)C)c3O)n4-c3ccc(C([2H])(C)C)cc3-c3ccc(C(C)(C)C)cc3)cc(C(C)(C)C)c2)c([2H])c(-c2c([2H])c([2H])c(C(=O)OO)c([2H])c2[2H])c1[2H].[Pt].

What is the InChIKey of 4-[2-[3-tert-butyl-5-[1-[2-(4-tert-butylphenyl)-4-(2-deuteriopropan-2-yl)phenyl]-2-[2-hydroxy-3,5-di(propan-2-yl)phenyl]benzimidazol-4-yl]benzene-6-id-1-yl]-3,5,6-trideuterio-4-pyridinyl]-2,3,5,6-tetradeuteriobenzenecarboperoxoic acid;platinum?

The InChIKey is IPVNZMSHGRXAAT-RXWSQMNMSA-N. The full InChI is InChI=1S/C60H62N3O4.Pt/c1-35(2)41-22-25-53(50(31-41)39-20-23-46(24-21-39)59(7,8)9)63-54-15-13-14-48(55(54)62-57(63)51-33-43(36(3)4)32-49(37(5)6)56(51)64)44-28-45(30-47(29-44)60(10,11)12)52-34-42(26-27-61-52)38-16-18-40(19-17-38)58(65)67-66;/h13-27,29-37,64,66H,1-12H3;/q-1;/i16D,17D,18D,19D,26D,27D,34D,35D;.

What are the key properties of 4-[2-[3-tert-butyl-5-[1-[2-(4-tert-butylphenyl)-4-(2-deuteriopropan-2-yl)phenyl]-2-[2-hydroxy-3,5-di(propan-2-yl)phenyl]benzimidazol-4-yl]benzene-6-id-1-yl]-3,5,6-trideuterio-4-pyridinyl]-2,3,5,6-tetradeuteriobenzenecarboperoxoic acid;platinum?

4-[2-[3-tert-butyl-5-[1-[2-(4-tert-butylphenyl)-4-(2-deuteriopropan-2-yl)phenyl]-2-[2-hydroxy-3,5-di(propan-2-yl)phenyl]benzimidazol-4-yl]benzene-6-id-1-yl]-3,5,6-trideuterio-4-pyridinyl]-2,3,5,6-tetradeuteriobenzenecarboperoxoic acid;platinum has a molecular weight of 1092.30 g/mol, XLogP of 15.85, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[3-tert-butyl-5-[1-[2-(4-tert-butylphenyl)-4-(2-deuteriopropan-2-yl)phenyl]-2-[2-hydroxy-3,5-di(propan-2-yl)phenyl]benzimidazol-4-yl]benzene-6-id-1-yl]-3,5,6-trideuterio-4-pyridinyl]-2,3,5,6-tetradeuteriobenzenecarboperoxoic acid;platinum is sourced from PubChem (CID 167355853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).