2-[1-[4-[2,6-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]-4,6-bis(2-deuteriopropan-2-yl)phenol;platinum

C61H58N3OPt- — CID 153477122

About 2-[1-[4-[2,6-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]-4,6-bis(2-deuteriopropan-2-yl)phenol;platinum

2-[1-[4-[2,6-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]-4,6-bis(2-deuteriopropan-2-yl)phenol;platinum (PubChem CID 153477122) has the molecular formula C61H58N3OPt- and a molecular weight of 1051.28 g/mol. Its IUPAC name is 2-[1-[4-[2,6-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]-4,6-bis(2-deuteriopropan-2-yl)phenol;platinum.

Molecular Properties

• Compound Name: 2-[1-[4-[2,6-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]-4,6-bis(2-deuteriopropan-2-yl)phenol;platinum
• PubChem CID: 153477122
• Molecular Formula: C61H58N3OPt-
• Molecular Weight: 1051.28 g/mol
• Exact Mass: 1050.47
• IUPAC Name: 2-[1-[4-[2,6-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]-4,6-bis(2-deuteriopropan-2-yl)phenol;platinum
• SMILES: [2H]C([2H])([2H])c1cc(-c2c(C([2H])(C)C)cccc2C([2H])(C)C)ccc1-n1c(-c2cc(C([2H])(C)C)cc(C([2H])(C)C)c2O)nc2c(-c3[c-]c(-c4cc(-c5ccccc5)ccn4)cc(-c4ccccc4)c3)cccc21.[Pt]
• InChI: InChI=1S/C61H58N3O.Pt/c1-37(2)46-34-53(40(7)8)60(65)54(35-46)61-63-59-52(24-17-25-57(59)64(61)56-27-26-45(30-41(56)9)58-50(38(3)4)22-16-23-51(58)39(5)6)48-31-47(43-20-14-11-15-21-43)32-49(33-48)55-36-44(28-29-62-55)42-18-12-10-13-19-42;/h10-32,34-40,65H,1-9H3;/q-1;/i9D3,37D,38D,39D,40D
• InChIKey: FXTIOILWWQMSQK-FQHOEGAKSA-N
• XLogP: 16.73
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1051.28
LogP ≤ 5	16.73
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-[2,6-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]-4,6-bis(2-deuteriopropan-2-yl)phenol;platinum?

The IUPAC name of 2-[1-[4-[2,6-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]-4,6-bis(2-deuteriopropan-2-yl)phenol;platinum (CID 153477122) is 2-[1-[4-[2,6-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]-4,6-bis(2-deuteriopropan-2-yl)phenol;platinum.

What is the SMILES notation for 2-[1-[4-[2,6-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]-4,6-bis(2-deuteriopropan-2-yl)phenol;platinum?

The canonical SMILES for 2-[1-[4-[2,6-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]-4,6-bis(2-deuteriopropan-2-yl)phenol;platinum is [2H]C([2H])([2H])c1cc(-c2c(C([2H])(C)C)cccc2C([2H])(C)C)ccc1-n1c(-c2cc(C([2H])(C)C)cc(C([2H])(C)C)c2O)nc2c(-c3[c-]c(-c4cc(-c5ccccc5)ccn4)cc(-c4ccccc4)c3)cccc21.[Pt].

What is the InChIKey of 2-[1-[4-[2,6-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]-4,6-bis(2-deuteriopropan-2-yl)phenol;platinum?

The InChIKey is FXTIOILWWQMSQK-FQHOEGAKSA-N. The full InChI is InChI=1S/C61H58N3O.Pt/c1-37(2)46-34-53(40(7)8)60(65)54(35-46)61-63-59-52(24-17-25-57(59)64(61)56-27-26-45(30-41(56)9)58-50(38(3)4)22-16-23-51(58)39(5)6)48-31-47(43-20-14-11-15-21-43)32-49(33-48)55-36-44(28-29-62-55)42-18-12-10-13-19-42;/h10-32,34-40,65H,1-9H3;/q-1;/i9D3,37D,38D,39D,40D;.

What are the key properties of 2-[1-[4-[2,6-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]-4,6-bis(2-deuteriopropan-2-yl)phenol;platinum?

2-[1-[4-[2,6-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]-4,6-bis(2-deuteriopropan-2-yl)phenol;platinum has a molecular weight of 1051.28 g/mol, XLogP of 16.73, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[4-[2,6-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]-4,6-bis(2-deuteriopropan-2-yl)phenol;platinum is sourced from PubChem (CID 153477122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).