2-[1-[2-(4-tert-butylphenyl)-4-(2-deuteriopropan-2-yl)phenyl]-4-[3-[4-[4-(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum

C58H52N3OPt- — CID 153477549

About 2-[1-[2-(4-tert-butylphenyl)-4-(2-deuteriopropan-2-yl)phenyl]-4-[3-[4-[4-(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum

2-[1-[2-(4-tert-butylphenyl)-4-(2-deuteriopropan-2-yl)phenyl]-4-[3-[4-[4-(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum (PubChem CID 153477549) has the molecular formula C58H52N3OPt- and a molecular weight of 1004.16 g/mol. Its IUPAC name is 2-[1-[2-(4-tert-butylphenyl)-4-(2-deuteriopropan-2-yl)phenyl]-4-[3-[4-[4-(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum.

Molecular Properties

• Compound Name: 2-[1-[2-(4-tert-butylphenyl)-4-(2-deuteriopropan-2-yl)phenyl]-4-[3-[4-[4-(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum
• PubChem CID: 153477549
• Molecular Formula: C58H52N3OPt-
• Molecular Weight: 1004.16 g/mol
• Exact Mass: 1003.39
• IUPAC Name: 2-[1-[2-(4-tert-butylphenyl)-4-(2-deuteriopropan-2-yl)phenyl]-4-[3-[4-[4-(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum
• SMILES: [2H]C(C)(C)c1ccc(-c2ccnc(-c3[c-]c(-c4cccc5c4nc(-c4ccccc4O)n5-c4ccc(C([2H])(C)C)cc4-c4ccc(C(C)(C)C)cc4)cc(-c4ccccc4)c3)c2)cc1.[Pt]
• InChI: InChI=1S/C58H52N3O.Pt/c1-37(2)39-20-22-41(23-21-39)44-30-31-59-52(36-44)47-33-45(40-14-9-8-10-15-40)32-46(34-47)49-17-13-18-54-56(49)60-57(50-16-11-12-19-55(50)62)61(54)53-29-26-43(38(3)4)35-51(53)42-24-27-48(28-25-42)58(5,6)7;/h8-33,35-38,62H,1-7H3;/q-1;/i37D,38D
• InChIKey: KCQDUMCHAVHRHK-JCTPENRVSA-N
• XLogP: 15.47
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1004.16
LogP ≤ 5	15.47
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-(2-deuteriopropan-2-yl)phenyl]-4-[3-[4-[4-(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum?

The IUPAC name of 2-[1-[2-(4-tert-butylphenyl)-4-(2-deuteriopropan-2-yl)phenyl]-4-[3-[4-[4-(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum (CID 153477549) is 2-[1-[2-(4-tert-butylphenyl)-4-(2-deuteriopropan-2-yl)phenyl]-4-[3-[4-[4-(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum.

What is the SMILES notation for 2-[1-[2-(4-tert-butylphenyl)-4-(2-deuteriopropan-2-yl)phenyl]-4-[3-[4-[4-(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum?

The canonical SMILES for 2-[1-[2-(4-tert-butylphenyl)-4-(2-deuteriopropan-2-yl)phenyl]-4-[3-[4-[4-(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum is [2H]C(C)(C)c1ccc(-c2ccnc(-c3[c-]c(-c4cccc5c4nc(-c4ccccc4O)n5-c4ccc(C([2H])(C)C)cc4-c4ccc(C(C)(C)C)cc4)cc(-c4ccccc4)c3)c2)cc1.[Pt].

What is the InChIKey of 2-[1-[2-(4-tert-butylphenyl)-4-(2-deuteriopropan-2-yl)phenyl]-4-[3-[4-[4-(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum?

The InChIKey is KCQDUMCHAVHRHK-JCTPENRVSA-N. The full InChI is InChI=1S/C58H52N3O.Pt/c1-37(2)39-20-22-41(23-21-39)44-30-31-59-52(36-44)47-33-45(40-14-9-8-10-15-40)32-46(34-47)49-17-13-18-54-56(49)60-57(50-16-11-12-19-55(50)62)61(54)53-29-26-43(38(3)4)35-51(53)42-24-27-48(28-25-42)58(5,6)7;/h8-33,35-38,62H,1-7H3;/q-1;/i37D,38D;.

What are the key properties of 2-[1-[2-(4-tert-butylphenyl)-4-(2-deuteriopropan-2-yl)phenyl]-4-[3-[4-[4-(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum?

2-[1-[2-(4-tert-butylphenyl)-4-(2-deuteriopropan-2-yl)phenyl]-4-[3-[4-[4-(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum has a molecular weight of 1004.16 g/mol, XLogP of 15.47, 9 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-(2-deuteriopropan-2-yl)phenyl]-4-[3-[4-[4-(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 153477549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).