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

C63H66N3OPt- — CID 155762751

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

2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-tert-butyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-dicyclohexylphenol;platinum (PubChem CID 155762751) has the molecular formula C63H66N3OPt- and a molecular weight of 1079.34 g/mol. Its IUPAC name is 2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-tert-butyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-dicyclohexylphenol;platinum.

Molecular Properties

• Compound Name: 2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-tert-butyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-dicyclohexylphenol;platinum
• PubChem CID: 155762751
• Molecular Formula: C63H66N3OPt-
• Molecular Weight: 1079.34 g/mol
• Exact Mass: 1078.50
• IUPAC Name: 2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-tert-butyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-dicyclohexylphenol;platinum
• SMILES: [2H]C([2H])([2H])c1ccc(-c2ccnc(-c3[c-]c(-c4cccc5c4nc(-c4cc(C6CCCCC6)cc(C6CCCCC6)c4O)n5-c4ccc(C(C)(C)C)cc4-c4ccccc4)cc(C(C)(C)C)c3)c2)cc1.[Pt]
• InChI: InChI=1S/C63H66N3O.Pt/c1-41-26-28-43(29-27-41)46-32-33-64-56(39-46)49-34-48(35-51(36-49)63(5,6)7)52-24-17-25-58-59(52)65-61(66(58)57-31-30-50(62(2,3)4)40-53(57)44-20-13-9-14-21-44)55-38-47(42-18-11-8-12-19-42)37-54(60(55)67)45-22-15-10-16-23-45;/h9,13-14,17,20-21,24-33,35-40,42,45,67H,8,10-12,15-16,18-19,22-23H2,1-7H3;/q-1;/i1D3
• InChIKey: UGDCNWKNGFFLNW-NIIDSAIPSA-N
• XLogP: 17.26
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1079.34
LogP ≤ 5	17.26
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-tert-butyl-2-phenylphenyl)-4-[3-tert-butyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-dicyclohexylphenol;platinum?

The IUPAC name of 2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-tert-butyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-dicyclohexylphenol;platinum (CID 155762751) is 2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-tert-butyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-dicyclohexylphenol;platinum.

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

The canonical SMILES for 2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-tert-butyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-dicyclohexylphenol;platinum is [2H]C([2H])([2H])c1ccc(-c2ccnc(-c3[c-]c(-c4cccc5c4nc(-c4cc(C6CCCCC6)cc(C6CCCCC6)c4O)n5-c4ccc(C(C)(C)C)cc4-c4ccccc4)cc(C(C)(C)C)c3)c2)cc1.[Pt].

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

The InChIKey is UGDCNWKNGFFLNW-NIIDSAIPSA-N. The full InChI is InChI=1S/C63H66N3O.Pt/c1-41-26-28-43(29-27-41)46-32-33-64-56(39-46)49-34-48(35-51(36-49)63(5,6)7)52-24-17-25-58-59(52)65-61(66(58)57-31-30-50(62(2,3)4)40-53(57)44-20-13-9-14-21-44)55-38-47(42-18-11-8-12-19-42)37-54(60(55)67)45-22-15-10-16-23-45;/h9,13-14,17,20-21,24-33,35-40,42,45,67H,8,10-12,15-16,18-19,22-23H2,1-7H3;/q-1;/i1D3;.

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

2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-tert-butyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-dicyclohexylphenol;platinum has a molecular weight of 1079.34 g/mol, XLogP of 17.26, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-tert-butyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-dicyclohexylphenol;platinum is sourced from PubChem (CID 155762751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).