2,4-ditert-butyl-6-[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

C64H56N3OPt- — CID 153477372

About 2,4-ditert-butyl-6-[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

2,4-ditert-butyl-6-[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 153477372) has the molecular formula C64H56N3OPt- and a molecular weight of 1081.27 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[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: 2,4-ditert-butyl-6-[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: 153477372
• Molecular Formula: C64H56N3OPt-
• Molecular Weight: 1081.27 g/mol
• Exact Mass: 1080.43
• IUPAC Name: 2,4-ditert-butyl-6-[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(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)nc3c(-c4[c-]c(-c5cc(-c6ccc(C)cc6)ccn5)cc(-c5ccccc5)c4)cccc32)cc1-c1ccccc1.[Pt]
• InChI: InChI=1S/C64H56N3O.Pt/c1-41-27-29-44(30-28-41)47-31-32-65-57(37-47)50-35-48(43-19-12-9-13-20-43)34-49(36-50)52-25-18-26-58-60(52)66-62(55-38-51(63(3,4)5)39-56(61(55)68)64(6,7)8)67(58)59-40-53(45-21-14-10-15-22-45)42(2)33-54(59)46-23-16-11-17-24-46;/h9-35,37-40,68H,1-8H3;/q-1;/i2D3
• InChIKey: NGPCLEUMZIGHAH-MUTAZJQDSA-N
• XLogP: 16.80
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1081.27
LogP ≤ 5	16.80
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-[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 2,4-ditert-butyl-6-[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 153477372) is 2,4-ditert-butyl-6-[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 2,4-ditert-butyl-6-[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 2,4-ditert-butyl-6-[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(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)nc3c(-c4[c-]c(-c5cc(-c6ccc(C)cc6)ccn5)cc(-c5ccccc5)c4)cccc32)cc1-c1ccccc1.[Pt].

What is the InChIKey of 2,4-ditert-butyl-6-[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 NGPCLEUMZIGHAH-MUTAZJQDSA-N. The full InChI is InChI=1S/C64H56N3O.Pt/c1-41-27-29-44(30-28-41)47-31-32-65-57(37-47)50-35-48(43-19-12-9-13-20-43)34-49(36-50)52-25-18-26-58-60(52)66-62(55-38-51(63(3,4)5)39-56(61(55)68)64(6,7)8)67(58)59-40-53(45-21-14-10-15-22-45)42(2)33-54(59)46-23-16-11-17-24-46;/h9-35,37-40,68H,1-8H3;/q-1;/i2D3;.

What are the key properties of 2,4-ditert-butyl-6-[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?

2,4-ditert-butyl-6-[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 1081.27 g/mol, XLogP of 16.80, 9 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-[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 153477372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).