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

C55H46N3OPt- — CID 153478833

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

2-[1-[4-[3,5-bis(2-deuteriopropan-2-yl)phenyl]-2-(trideuteriomethyl)phenyl]-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum (PubChem CID 153478833) has the molecular formula C55H46N3OPt- and a molecular weight of 965.10 g/mol. Its IUPAC name is 2-[1-[4-[3,5-bis(2-deuteriopropan-2-yl)phenyl]-2-(trideuteriomethyl)phenyl]-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum.

Molecular Properties

• Compound Name: 2-[1-[4-[3,5-bis(2-deuteriopropan-2-yl)phenyl]-2-(trideuteriomethyl)phenyl]-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum
• PubChem CID: 153478833
• Molecular Formula: C55H46N3OPt-
• Molecular Weight: 965.10 g/mol
• Exact Mass: 964.36
• IUPAC Name: 2-[1-[4-[3,5-bis(2-deuteriopropan-2-yl)phenyl]-2-(trideuteriomethyl)phenyl]-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum
• SMILES: [2H]C([2H])([2H])c1cc(-c2cc(C([2H])(C)C)cc(C([2H])(C)C)c2)ccc1-n1c(-c2ccccc2O)nc2c(-c3[c-]c(-c4cc(-c5ccccc5)ccn4)cc(-c4ccccc4)c3)cccc21.[Pt]
• InChI: InChI=1S/C55H46N3O.Pt/c1-35(2)42-28-43(36(3)4)30-45(29-42)40-23-24-51(37(5)27-40)58-52-21-14-20-48(54(52)57-55(58)49-19-12-13-22-53(49)59)46-31-44(39-17-10-7-11-18-39)32-47(33-46)50-34-41(25-26-56-50)38-15-8-6-9-16-38;/h6-32,34-36,59H,1-5H3;/q-1;/i5D3,35D,36D
• InChIKey: NJOUBPJBVVGHIU-MRLMDOAISA-N
• XLogP: 14.48
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	965.10
LogP ≤ 5	14.48
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-[4-[3,5-bis(2-deuteriopropan-2-yl)phenyl]-2-(trideuteriomethyl)phenyl]-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum?

The IUPAC name of 2-[1-[4-[3,5-bis(2-deuteriopropan-2-yl)phenyl]-2-(trideuteriomethyl)phenyl]-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum (CID 153478833) is 2-[1-[4-[3,5-bis(2-deuteriopropan-2-yl)phenyl]-2-(trideuteriomethyl)phenyl]-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum.

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

The canonical SMILES for 2-[1-[4-[3,5-bis(2-deuteriopropan-2-yl)phenyl]-2-(trideuteriomethyl)phenyl]-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum is [2H]C([2H])([2H])c1cc(-c2cc(C([2H])(C)C)cc(C([2H])(C)C)c2)ccc1-n1c(-c2ccccc2O)nc2c(-c3[c-]c(-c4cc(-c5ccccc5)ccn4)cc(-c4ccccc4)c3)cccc21.[Pt].

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

The InChIKey is NJOUBPJBVVGHIU-MRLMDOAISA-N. The full InChI is InChI=1S/C55H46N3O.Pt/c1-35(2)42-28-43(36(3)4)30-45(29-42)40-23-24-51(37(5)27-40)58-52-21-14-20-48(54(52)57-55(58)49-19-12-13-22-53(49)59)46-31-44(39-17-10-7-11-18-39)32-47(33-46)50-34-41(25-26-56-50)38-15-8-6-9-16-38;/h6-32,34-36,59H,1-5H3;/q-1;/i5D3,35D,36D;.

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

2-[1-[4-[3,5-bis(2-deuteriopropan-2-yl)phenyl]-2-(trideuteriomethyl)phenyl]-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum has a molecular weight of 965.10 g/mol, XLogP of 14.48, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[4-[3,5-bis(2-deuteriopropan-2-yl)phenyl]-2-(trideuteriomethyl)phenyl]-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 153478833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).