2,4-ditert-butyl-6-[4-[3-[4-(3,5-dimethylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]-1-[4-phenyl-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]phenol;platinum

C59H54N3OPt- — CID 153482212

About 2,4-ditert-butyl-6-[4-[3-[4-(3,5-dimethylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]-1-[4-phenyl-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]phenol;platinum

2,4-ditert-butyl-6-[4-[3-[4-(3,5-dimethylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]-1-[4-phenyl-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]phenol;platinum (PubChem CID 153482212) has the molecular formula C59H54N3OPt- and a molecular weight of 1019.20 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[4-[3-[4-(3,5-dimethylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]-1-[4-phenyl-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]phenol;platinum.

Molecular Properties

• Compound Name: 2,4-ditert-butyl-6-[4-[3-[4-(3,5-dimethylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]-1-[4-phenyl-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]phenol;platinum
• PubChem CID: 153482212
• Molecular Formula: C59H54N3OPt-
• Molecular Weight: 1019.20 g/mol
• Exact Mass: 1018.41
• IUPAC Name: 2,4-ditert-butyl-6-[4-[3-[4-(3,5-dimethylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]-1-[4-phenyl-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]phenol;platinum
• SMILES: [2H]C([2H])([2H])c1cc(-c2ccccc2)ccc1-n1c(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)nc2c(-c3[c-]c(-c4cc(-c5cc(C)cc(C)c5)ccn4)cc(-c4ccccc4)c3)cccc21.[Pt]
• InChI: InChI=1S/C59H54N3O.Pt/c1-37-27-38(2)29-44(28-37)43-25-26-60-52(34-43)47-32-45(41-19-14-11-15-20-41)31-46(33-47)49-21-16-22-54-55(49)61-57(50-35-48(58(4,5)6)36-51(56(50)63)59(7,8)9)62(54)53-24-23-42(30-39(53)3)40-17-12-10-13-18-40;/h10-32,34-36,63H,1-9H3;/q-1;/i3D3
• InChIKey: ZGVPYALLPORWLO-FJCVKDQNSA-N
• XLogP: 15.45
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1019.20
LogP ≤ 5	15.45
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-ditert-butyl-6-[4-[3-[4-(3,5-dimethylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]-1-[4-phenyl-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]phenol;platinum?

The IUPAC name of 2,4-ditert-butyl-6-[4-[3-[4-(3,5-dimethylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]-1-[4-phenyl-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]phenol;platinum (CID 153482212) is 2,4-ditert-butyl-6-[4-[3-[4-(3,5-dimethylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]-1-[4-phenyl-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]phenol;platinum.

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

The canonical SMILES for 2,4-ditert-butyl-6-[4-[3-[4-(3,5-dimethylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]-1-[4-phenyl-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]phenol;platinum is [2H]C([2H])([2H])c1cc(-c2ccccc2)ccc1-n1c(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)nc2c(-c3[c-]c(-c4cc(-c5cc(C)cc(C)c5)ccn4)cc(-c4ccccc4)c3)cccc21.[Pt].

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

The InChIKey is ZGVPYALLPORWLO-FJCVKDQNSA-N. The full InChI is InChI=1S/C59H54N3O.Pt/c1-37-27-38(2)29-44(28-37)43-25-26-60-52(34-43)47-32-45(41-19-14-11-15-20-41)31-46(33-47)49-21-16-22-54-55(49)61-57(50-35-48(58(4,5)6)36-51(56(50)63)59(7,8)9)62(54)53-24-23-42(30-39(53)3)40-17-12-10-13-18-40;/h10-32,34-36,63H,1-9H3;/q-1;/i3D3;.

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

2,4-ditert-butyl-6-[4-[3-[4-(3,5-dimethylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]-1-[4-phenyl-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]phenol;platinum has a molecular weight of 1019.20 g/mol, XLogP of 15.45, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-ditert-butyl-6-[4-[3-[4-(3,5-dimethylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]-1-[4-phenyl-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 153482212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).