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

C63H62N3OPt- — CID 164701284

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

2-[1-[4-[3,5-bis(2-deuteriopropan-2-yl)phenyl]-2-methylphenyl]-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-ditert-butylphenol;platinum (PubChem CID 164701284) has the molecular formula C63H62N3OPt- and a molecular weight of 1074.30 g/mol. Its IUPAC name is 2-[1-[4-[3,5-bis(2-deuteriopropan-2-yl)phenyl]-2-methylphenyl]-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-ditert-butylphenol;platinum.

Molecular Properties

• Compound Name: 2-[1-[4-[3,5-bis(2-deuteriopropan-2-yl)phenyl]-2-methylphenyl]-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-ditert-butylphenol;platinum
• PubChem CID: 164701284
• Molecular Formula: C63H62N3OPt-
• Molecular Weight: 1074.30 g/mol
• Exact Mass: 1073.47
• IUPAC Name: 2-[1-[4-[3,5-bis(2-deuteriopropan-2-yl)phenyl]-2-methylphenyl]-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-ditert-butylphenol;platinum
• SMILES: [2H]C(C)(C)c1cc(-c2ccc(-n3c(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4O)nc4c(-c5[c-]c(-c6cc(-c7ccccc7)ccn6)cc(-c6ccccc6)c5)cccc43)c(C)c2)cc(C([2H])(C)C)c1.[Pt]
• InChI: InChI=1S/C63H62N3O.Pt/c1-39(2)46-30-47(40(3)4)32-49(31-46)44-25-26-57(41(5)29-44)66-58-24-18-23-53(59(58)65-61(66)54-37-52(62(6,7)8)38-55(60(54)67)63(9,10)11)50-33-48(43-21-16-13-17-22-43)34-51(35-50)56-36-45(27-28-64-56)42-19-14-12-15-20-42;/h12-34,36-40,67H,1-11H3;/q-1;/i39D,40D
• InChIKey: KLTFNVKAHYXZIS-ZVMKRCTOSA-N
• XLogP: 17.08
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1074.30
LogP ≤ 5	17.08
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-methylphenyl]-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-ditert-butylphenol;platinum?

The IUPAC name of 2-[1-[4-[3,5-bis(2-deuteriopropan-2-yl)phenyl]-2-methylphenyl]-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-ditert-butylphenol;platinum (CID 164701284) is 2-[1-[4-[3,5-bis(2-deuteriopropan-2-yl)phenyl]-2-methylphenyl]-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-ditert-butylphenol;platinum.

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

The canonical SMILES for 2-[1-[4-[3,5-bis(2-deuteriopropan-2-yl)phenyl]-2-methylphenyl]-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-ditert-butylphenol;platinum is [2H]C(C)(C)c1cc(-c2ccc(-n3c(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4O)nc4c(-c5[c-]c(-c6cc(-c7ccccc7)ccn6)cc(-c6ccccc6)c5)cccc43)c(C)c2)cc(C([2H])(C)C)c1.[Pt].

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

The InChIKey is KLTFNVKAHYXZIS-ZVMKRCTOSA-N. The full InChI is InChI=1S/C63H62N3O.Pt/c1-39(2)46-30-47(40(3)4)32-49(31-46)44-25-26-57(41(5)29-44)66-58-24-18-23-53(59(58)65-61(66)54-37-52(62(6,7)8)38-55(60(54)67)63(9,10)11)50-33-48(43-21-16-13-17-22-43)34-51(35-50)56-36-45(27-28-64-56)42-19-14-12-15-20-42;/h12-34,36-40,67H,1-11H3;/q-1;/i39D,40D;.

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

2-[1-[4-[3,5-bis(2-deuteriopropan-2-yl)phenyl]-2-methylphenyl]-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-ditert-butylphenol;platinum has a molecular weight of 1074.30 g/mol, XLogP of 17.08, 9 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-methylphenyl]-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-ditert-butylphenol;platinum is sourced from PubChem (CID 164701284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).