2-[1-[2-(4-tert-butylphenyl)-4-phenyl-5-(trideuteriomethyl)phenyl]-4-[3-tert-butyl-5-[3,5,6-trideuterio-4-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol;platinum

C63H62N3OPt- — CID 153479426

About 2-[1-[2-(4-tert-butylphenyl)-4-phenyl-5-(trideuteriomethyl)phenyl]-4-[3-tert-butyl-5-[3,5,6-trideuterio-4-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol;platinum

2-[1-[2-(4-tert-butylphenyl)-4-phenyl-5-(trideuteriomethyl)phenyl]-4-[3-tert-butyl-5-[3,5,6-trideuterio-4-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol;platinum (PubChem CID 153479426) has the molecular formula C63H62N3OPt- and a molecular weight of 1083.35 g/mol. Its IUPAC name is 2-[1-[2-(4-tert-butylphenyl)-4-phenyl-5-(trideuteriomethyl)phenyl]-4-[3-tert-butyl-5-[3,5,6-trideuterio-4-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol;platinum.

Molecular Properties

• Compound Name: 2-[1-[2-(4-tert-butylphenyl)-4-phenyl-5-(trideuteriomethyl)phenyl]-4-[3-tert-butyl-5-[3,5,6-trideuterio-4-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol;platinum
• PubChem CID: 153479426
• Molecular Formula: C63H62N3OPt-
• Molecular Weight: 1083.35 g/mol
• Exact Mass: 1082.52
• IUPAC Name: 2-[1-[2-(4-tert-butylphenyl)-4-phenyl-5-(trideuteriomethyl)phenyl]-4-[3-tert-butyl-5-[3,5,6-trideuterio-4-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol;platinum
• SMILES: [2H]c1nc(-c2[c-]c(-c3cccc4c3nc(-c3cc(C(C)C)cc(C(C)C)c3O)n4-c3cc(C([2H])([2H])[2H])c(-c4ccccc4)cc3-c3ccc(C(C)(C)C)cc3)cc(C(C)(C)C)c2)c([2H])c(-c2c([2H])c([2H])c([2H])c([2H])c2[2H])c1[2H].[Pt]
• InChI: InChI=1S/C63H62N3O.Pt/c1-39(2)46-35-52(40(3)4)60(67)55(36-46)61-65-59-51(47-32-48(34-50(33-47)63(9,10)11)56-37-45(29-30-64-56)42-19-14-12-15-20-42)23-18-24-57(59)66(61)58-31-41(5)53(43-21-16-13-17-22-43)38-54(58)44-25-27-49(28-26-44)62(6,7)8;/h12-31,33-40,67H,1-11H3;/q-1;/i5D3,12D,14D,15D,19D,20D,29D,30D,37D
• InChIKey: LSSLRFPQRXHQRJ-TYXWNDLRSA-N
• XLogP: 17.08
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1083.35
LogP ≤ 5	17.08
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-[2-(4-tert-butylphenyl)-4-phenyl-5-(trideuteriomethyl)phenyl]-4-[3-tert-butyl-5-[3,5,6-trideuterio-4-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol;platinum?

The IUPAC name of 2-[1-[2-(4-tert-butylphenyl)-4-phenyl-5-(trideuteriomethyl)phenyl]-4-[3-tert-butyl-5-[3,5,6-trideuterio-4-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol;platinum (CID 153479426) is 2-[1-[2-(4-tert-butylphenyl)-4-phenyl-5-(trideuteriomethyl)phenyl]-4-[3-tert-butyl-5-[3,5,6-trideuterio-4-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol;platinum.

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

The canonical SMILES for 2-[1-[2-(4-tert-butylphenyl)-4-phenyl-5-(trideuteriomethyl)phenyl]-4-[3-tert-butyl-5-[3,5,6-trideuterio-4-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol;platinum is [2H]c1nc(-c2[c-]c(-c3cccc4c3nc(-c3cc(C(C)C)cc(C(C)C)c3O)n4-c3cc(C([2H])([2H])[2H])c(-c4ccccc4)cc3-c3ccc(C(C)(C)C)cc3)cc(C(C)(C)C)c2)c([2H])c(-c2c([2H])c([2H])c([2H])c([2H])c2[2H])c1[2H].[Pt].

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

The InChIKey is LSSLRFPQRXHQRJ-TYXWNDLRSA-N. The full InChI is InChI=1S/C63H62N3O.Pt/c1-39(2)46-35-52(40(3)4)60(67)55(36-46)61-65-59-51(47-32-48(34-50(33-47)63(9,10)11)56-37-45(29-30-64-56)42-19-14-12-15-20-42)23-18-24-57(59)66(61)58-31-41(5)53(43-21-16-13-17-22-43)38-54(58)44-25-27-49(28-26-44)62(6,7)8;/h12-31,33-40,67H,1-11H3;/q-1;/i5D3,12D,14D,15D,19D,20D,29D,30D,37D;.

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

2-[1-[2-(4-tert-butylphenyl)-4-phenyl-5-(trideuteriomethyl)phenyl]-4-[3-tert-butyl-5-[3,5,6-trideuterio-4-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol;platinum has a molecular weight of 1083.35 g/mol, XLogP of 17.08, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[2-(4-tert-butylphenyl)-4-phenyl-5-(trideuteriomethyl)phenyl]-4-[3-tert-butyl-5-[3,5,6-trideuterio-4-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol;platinum is sourced from PubChem (CID 153479426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).