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

C69H66N3OPt- — CID 153476791

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

2-[4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(4-tert-butylphenyl)-2-phenyl-5-(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-bis(2-deuteriopropan-2-yl)phenol;platinum (PubChem CID 153476791) has the molecular formula C69H66N3OPt- and a molecular weight of 1153.42 g/mol. Its IUPAC name is 2-[4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(4-tert-butylphenyl)-2-phenyl-5-(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-bis(2-deuteriopropan-2-yl)phenol;platinum.

Molecular Properties

• Compound Name: 2-[4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(4-tert-butylphenyl)-2-phenyl-5-(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-bis(2-deuteriopropan-2-yl)phenol;platinum
• PubChem CID: 153476791
• Molecular Formula: C69H66N3OPt-
• Molecular Weight: 1153.42 g/mol
• Exact Mass: 1152.52
• IUPAC Name: 2-[4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(4-tert-butylphenyl)-2-phenyl-5-(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-bis(2-deuteriopropan-2-yl)phenol;platinum
• SMILES: [2H]C([2H])([2H])c1cc(-n2c(-c3cc(C([2H])(C)C)cc(C([2H])(C)C)c3O)nc3c(-c4[c-]c(-c5cc(-c6ccc(-c7ccccc7)cc6)ccn5)cc(C(C)(C)C)c4)cccc32)c(-c2ccccc2)cc1-c1ccc(C(C)(C)C)cc1.[Pt]
• InChI: InChI=1S/C69H66N3O.Pt/c1-43(2)52-39-58(44(3)4)66(73)61(40-52)67-71-65-57(53-36-54(38-56(37-53)69(9,10)11)62-41-51(33-34-70-62)48-27-25-47(26-28-48)46-19-14-12-15-20-46)23-18-24-63(65)72(67)64-35-45(5)59(42-60(64)49-21-16-13-17-22-49)50-29-31-55(32-30-50)68(6,7)8;/h12-35,37-44,73H,1-11H3;/q-1;/i5D3,43D,44D
• InChIKey: QGXGCLIXZMXURF-BFONOYCPSA-N
• XLogP: 18.74
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1153.42
LogP ≤ 5	18.74
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-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(4-tert-butylphenyl)-2-phenyl-5-(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-bis(2-deuteriopropan-2-yl)phenol;platinum?

The IUPAC name of 2-[4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(4-tert-butylphenyl)-2-phenyl-5-(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-bis(2-deuteriopropan-2-yl)phenol;platinum (CID 153476791) is 2-[4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(4-tert-butylphenyl)-2-phenyl-5-(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-bis(2-deuteriopropan-2-yl)phenol;platinum.

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

The canonical SMILES for 2-[4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(4-tert-butylphenyl)-2-phenyl-5-(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-bis(2-deuteriopropan-2-yl)phenol;platinum is [2H]C([2H])([2H])c1cc(-n2c(-c3cc(C([2H])(C)C)cc(C([2H])(C)C)c3O)nc3c(-c4[c-]c(-c5cc(-c6ccc(-c7ccccc7)cc6)ccn5)cc(C(C)(C)C)c4)cccc32)c(-c2ccccc2)cc1-c1ccc(C(C)(C)C)cc1.[Pt].

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

The InChIKey is QGXGCLIXZMXURF-BFONOYCPSA-N. The full InChI is InChI=1S/C69H66N3O.Pt/c1-43(2)52-39-58(44(3)4)66(73)61(40-52)67-71-65-57(53-36-54(38-56(37-53)69(9,10)11)62-41-51(33-34-70-62)48-27-25-47(26-28-48)46-19-14-12-15-20-46)23-18-24-63(65)72(67)64-35-45(5)59(42-60(64)49-21-16-13-17-22-49)50-29-31-55(32-30-50)68(6,7)8;/h12-35,37-44,73H,1-11H3;/q-1;/i5D3,43D,44D;.

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

2-[4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(4-tert-butylphenyl)-2-phenyl-5-(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-bis(2-deuteriopropan-2-yl)phenol;platinum has a molecular weight of 1153.42 g/mol, XLogP of 18.74, 11 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-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(4-tert-butylphenyl)-2-phenyl-5-(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-bis(2-deuteriopropan-2-yl)phenol;platinum is sourced from PubChem (CID 153476791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).