2-[4-[3-tert-butyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(1,4-dimethyl-4-phenylcyclohexyl)phenyl]benzimidazol-2-yl]phenol;platinum

C55H52N3OPt- — CID 164713475

About 2-[4-[3-tert-butyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(1,4-dimethyl-4-phenylcyclohexyl)phenyl]benzimidazol-2-yl]phenol;platinum

2-[4-[3-tert-butyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(1,4-dimethyl-4-phenylcyclohexyl)phenyl]benzimidazol-2-yl]phenol;platinum (PubChem CID 164713475) has the molecular formula C55H52N3OPt- and a molecular weight of 969.14 g/mol. Its IUPAC name is 2-[4-[3-tert-butyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(1,4-dimethyl-4-phenylcyclohexyl)phenyl]benzimidazol-2-yl]phenol;platinum.

Molecular Properties

• Compound Name: 2-[4-[3-tert-butyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(1,4-dimethyl-4-phenylcyclohexyl)phenyl]benzimidazol-2-yl]phenol;platinum
• PubChem CID: 164713475
• Molecular Formula: C55H52N3OPt-
• Molecular Weight: 969.14 g/mol
• Exact Mass: 968.40
• IUPAC Name: 2-[4-[3-tert-butyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(1,4-dimethyl-4-phenylcyclohexyl)phenyl]benzimidazol-2-yl]phenol;platinum
• SMILES: [2H]C([2H])([2H])c1ccc(-c2ccnc(-c3[c-]c(-c4cccc5c4nc(-c4ccccc4O)n5-c4ccc(C5(C)CCC(C)(c6ccccc6)CC5)cc4)cc(C(C)(C)C)c3)c2)cc1.[Pt]
• InChI: InChI=1S/C55H52N3O.Pt/c1-37-19-21-38(22-20-37)39-27-32-56-48(36-39)41-33-40(34-44(35-41)53(2,3)4)46-16-12-17-49-51(46)57-52(47-15-10-11-18-50(47)59)58(49)45-25-23-43(24-26-45)55(6)30-28-54(5,29-31-55)42-13-8-7-9-14-42;/h7-27,32,34-36,59H,28-31H2,1-6H3;/q-1;/i1D3
• InChIKey: ZPXKFYBVPDUQFX-NIIDSAIPSA-N
• XLogP: 13.99
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	969.14
LogP ≤ 5	13.99
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-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(1,4-dimethyl-4-phenylcyclohexyl)phenyl]benzimidazol-2-yl]phenol;platinum?

The IUPAC name of 2-[4-[3-tert-butyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(1,4-dimethyl-4-phenylcyclohexyl)phenyl]benzimidazol-2-yl]phenol;platinum (CID 164713475) is 2-[4-[3-tert-butyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(1,4-dimethyl-4-phenylcyclohexyl)phenyl]benzimidazol-2-yl]phenol;platinum.

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

The canonical SMILES for 2-[4-[3-tert-butyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(1,4-dimethyl-4-phenylcyclohexyl)phenyl]benzimidazol-2-yl]phenol;platinum is [2H]C([2H])([2H])c1ccc(-c2ccnc(-c3[c-]c(-c4cccc5c4nc(-c4ccccc4O)n5-c4ccc(C5(C)CCC(C)(c6ccccc6)CC5)cc4)cc(C(C)(C)C)c3)c2)cc1.[Pt].

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

The InChIKey is ZPXKFYBVPDUQFX-NIIDSAIPSA-N. The full InChI is InChI=1S/C55H52N3O.Pt/c1-37-19-21-38(22-20-37)39-27-32-56-48(36-39)41-33-40(34-44(35-41)53(2,3)4)46-16-12-17-49-51(46)57-52(47-15-10-11-18-50(47)59)58(49)45-25-23-43(24-26-45)55(6)30-28-54(5,29-31-55)42-13-8-7-9-14-42;/h7-27,32,34-36,59H,28-31H2,1-6H3;/q-1;/i1D3;.

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

2-[4-[3-tert-butyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(1,4-dimethyl-4-phenylcyclohexyl)phenyl]benzimidazol-2-yl]phenol;platinum has a molecular weight of 969.14 g/mol, XLogP of 13.99, 8 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-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(1,4-dimethyl-4-phenylcyclohexyl)phenyl]benzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 164713475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).