2-tert-butyl-6-[4-[3-[4-[4-(1-deuterio-1-phenylethyl)phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]phenol;platinum

C66H60N3OPt- — CID 164742462

About 2-tert-butyl-6-[4-[3-[4-[4-(1-deuterio-1-phenylethyl)phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]phenol;platinum

2-tert-butyl-6-[4-[3-[4-[4-(1-deuterio-1-phenylethyl)phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]phenol;platinum (PubChem CID 164742462) has the molecular formula C66H60N3OPt- and a molecular weight of 1107.31 g/mol. Its IUPAC name is 2-tert-butyl-6-[4-[3-[4-[4-(1-deuterio-1-phenylethyl)phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]phenol;platinum.

Molecular Properties

• Compound Name: 2-tert-butyl-6-[4-[3-[4-[4-(1-deuterio-1-phenylethyl)phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]phenol;platinum
• PubChem CID: 164742462
• Molecular Formula: C66H60N3OPt-
• Molecular Weight: 1107.31 g/mol
• Exact Mass: 1106.45
• IUPAC Name: 2-tert-butyl-6-[4-[3-[4-[4-(1-deuterio-1-phenylethyl)phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]phenol;platinum
• SMILES: [2H]C(C)(c1ccccc1)c1ccc(-c2ccnc(-c3[c-]c(-c4cccc5c4nc(-c4cccc(C(C)(C)C)c4O)n5-c4c(C(C)C)cc(-c5ccccc5)cc4C(C)C)cc(-c4ccccc4)c3)c2)cc1.[Pt]
• InChI: InChI=1S/C66H60N3O.Pt/c1-42(2)57-39-52(48-24-16-11-17-25-48)40-58(43(3)4)63(57)69-61-29-19-26-55(62(61)68-65(69)56-27-18-28-59(64(56)70)66(6,7)8)53-36-51(47-22-14-10-15-23-47)37-54(38-53)60-41-50(34-35-67-60)49-32-30-46(31-33-49)44(5)45-20-12-9-13-21-45;/h9-37,39-44,70H,1-8H3;/q-1;/i44D
• InChIKey: HQKSNCLTTWHLIL-DECPSPJTSA-N
• XLogP: 17.62
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1107.31
LogP ≤ 5	17.62
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-tert-butyl-6-[4-[3-[4-[4-(1-deuterio-1-phenylethyl)phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]phenol;platinum?

The IUPAC name of 2-tert-butyl-6-[4-[3-[4-[4-(1-deuterio-1-phenylethyl)phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]phenol;platinum (CID 164742462) is 2-tert-butyl-6-[4-[3-[4-[4-(1-deuterio-1-phenylethyl)phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]phenol;platinum.

What is the SMILES notation for 2-tert-butyl-6-[4-[3-[4-[4-(1-deuterio-1-phenylethyl)phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]phenol;platinum?

The canonical SMILES for 2-tert-butyl-6-[4-[3-[4-[4-(1-deuterio-1-phenylethyl)phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]phenol;platinum is [2H]C(C)(c1ccccc1)c1ccc(-c2ccnc(-c3[c-]c(-c4cccc5c4nc(-c4cccc(C(C)(C)C)c4O)n5-c4c(C(C)C)cc(-c5ccccc5)cc4C(C)C)cc(-c4ccccc4)c3)c2)cc1.[Pt].

What is the InChIKey of 2-tert-butyl-6-[4-[3-[4-[4-(1-deuterio-1-phenylethyl)phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]phenol;platinum?

The InChIKey is HQKSNCLTTWHLIL-DECPSPJTSA-N. The full InChI is InChI=1S/C66H60N3O.Pt/c1-42(2)57-39-52(48-24-16-11-17-25-48)40-58(43(3)4)63(57)69-61-29-19-26-55(62(61)68-65(69)56-27-18-28-59(64(56)70)66(6,7)8)53-36-51(47-22-14-10-15-23-47)37-54(38-53)60-41-50(34-35-67-60)49-32-30-46(31-33-49)44(5)45-20-12-9-13-21-45;/h9-37,39-44,70H,1-8H3;/q-1;/i44D;.

What are the key properties of 2-tert-butyl-6-[4-[3-[4-[4-(1-deuterio-1-phenylethyl)phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]phenol;platinum?

2-tert-butyl-6-[4-[3-[4-[4-(1-deuterio-1-phenylethyl)phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]phenol;platinum has a molecular weight of 1107.31 g/mol, XLogP of 17.62, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-6-[4-[3-[4-[4-(1-deuterio-1-phenylethyl)phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 164742462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).