2-[1-[2,5-diphenyl-4-(trideuteriomethyl)phenyl]-4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum

C56H40N3OPt- — CID 153480139

About 2-[1-[2,5-diphenyl-4-(trideuteriomethyl)phenyl]-4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum

2-[1-[2,5-diphenyl-4-(trideuteriomethyl)phenyl]-4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum (PubChem CID 153480139) has the molecular formula C56H40N3OPt- and a molecular weight of 969.05 g/mol. Its IUPAC name is 2-[1-[2,5-diphenyl-4-(trideuteriomethyl)phenyl]-4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum.

Molecular Properties

• Compound Name: 2-[1-[2,5-diphenyl-4-(trideuteriomethyl)phenyl]-4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum
• PubChem CID: 153480139
• Molecular Formula: C56H40N3OPt-
• Molecular Weight: 969.05 g/mol
• Exact Mass: 968.30
• IUPAC Name: 2-[1-[2,5-diphenyl-4-(trideuteriomethyl)phenyl]-4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum
• SMILES: [2H]C([2H])([2H])c1cc(-c2ccccc2)c(-n2c(-c3ccccc3O)nc3c(-c4[c-]c(-c5cc(-c6ccc(C)cc6)ccn5)cc(-c5ccccc5)c4)cccc32)cc1-c1ccccc1.[Pt]
• InChI: InChI=1S/C56H40N3O.Pt/c1-37-25-27-40(28-26-37)43-29-30-57-51(35-43)46-33-44(39-15-6-3-7-16-39)32-45(34-46)47-22-14-23-52-55(47)58-56(48-21-12-13-24-54(48)60)59(52)53-36-49(41-17-8-4-9-18-41)38(2)31-50(53)42-19-10-5-11-20-42;/h3-33,35-36,60H,1-2H3;/q-1;/i2D3
• InChIKey: LGXZJLFTDYEAPZ-MUTAZJQDSA-N
• XLogP: 14.21
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	969.05
LogP ≤ 5	14.21
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-[2,5-diphenyl-4-(trideuteriomethyl)phenyl]-4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum?

The IUPAC name of 2-[1-[2,5-diphenyl-4-(trideuteriomethyl)phenyl]-4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum (CID 153480139) is 2-[1-[2,5-diphenyl-4-(trideuteriomethyl)phenyl]-4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum.

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

The canonical SMILES for 2-[1-[2,5-diphenyl-4-(trideuteriomethyl)phenyl]-4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum is [2H]C([2H])([2H])c1cc(-c2ccccc2)c(-n2c(-c3ccccc3O)nc3c(-c4[c-]c(-c5cc(-c6ccc(C)cc6)ccn5)cc(-c5ccccc5)c4)cccc32)cc1-c1ccccc1.[Pt].

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

The InChIKey is LGXZJLFTDYEAPZ-MUTAZJQDSA-N. The full InChI is InChI=1S/C56H40N3O.Pt/c1-37-25-27-40(28-26-37)43-29-30-57-51(35-43)46-33-44(39-15-6-3-7-16-39)32-45(34-46)47-22-14-23-52-55(47)58-56(48-21-12-13-24-54(48)60)59(52)53-36-49(41-17-8-4-9-18-41)38(2)31-50(53)42-19-10-5-11-20-42;/h3-33,35-36,60H,1-2H3;/q-1;/i2D3;.

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

2-[1-[2,5-diphenyl-4-(trideuteriomethyl)phenyl]-4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum has a molecular weight of 969.05 g/mol, XLogP of 14.21, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[2,5-diphenyl-4-(trideuteriomethyl)phenyl]-4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 153480139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).