2-[1-[4-(2-tert-butylphenyl)-3-(2-deuteriopropan-2-yl)phenyl]-4-[3-[2-[1-[3-[1-[4-(2-tert-butylphenyl)-3-(2-deuteriopropan-2-yl)phenyl]-2-(2-hydroxy-3,5-dimethylphenyl)benzimidazol-4-yl]-5-(4-phenyl-2-pyridinyl)benzene-4-id-1-yl]ethyl]phenyl]-5-[4-(4-methylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-dimethylphenol;platinum

C111H100N6O2Pt2-2 — CID 153476368

About 2-[1-[4-(2-tert-butylphenyl)-3-(2-deuteriopropan-2-yl)phenyl]-4-[3-[2-[1-[3-[1-[4-(2-tert-butylphenyl)-3-(2-deuteriopropan-2-yl)phenyl]-2-(2-hydroxy-3,5-dimethylphenyl)benzimidazol-4-yl]-5-(4-phenyl-2-pyridinyl)benzene-4-id-1-yl]ethyl]phenyl]-5-[4-(4-methylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-dimethylphenol;platinum

2-[1-[4-(2-tert-butylphenyl)-3-(2-deuteriopropan-2-yl)phenyl]-4-[3-[2-[1-[3-[1-[4-(2-tert-butylphenyl)-3-(2-deuteriopropan-2-yl)phenyl]-2-(2-hydroxy-3,5-dimethylphenyl)benzimidazol-4-yl]-5-(4-phenyl-2-pyridinyl)benzene-4-id-1-yl]ethyl]phenyl]-5-[4-(4-methylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-dimethylphenol;platinum (PubChem CID 153476368) has the molecular formula C111H100N6O2Pt2-2 and a molecular weight of 1942.23 g/mol. Its IUPAC name is 2-[1-[4-(2-tert-butylphenyl)-3-(2-deuteriopropan-2-yl)phenyl]-4-[3-[2-[1-[3-[1-[4-(2-tert-butylphenyl)-3-(2-deuteriopropan-2-yl)phenyl]-2-(2-hydroxy-3,5-dimethylphenyl)benzimidazol-4-yl]-5-(4-phenyl-2-pyridinyl)benzene-4-id-1-yl]ethyl]phenyl]-5-[4-(4-methylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-dimethylphenol;platinum.

Molecular Properties

• Compound Name: 2-[1-[4-(2-tert-butylphenyl)-3-(2-deuteriopropan-2-yl)phenyl]-4-[3-[2-[1-[3-[1-[4-(2-tert-butylphenyl)-3-(2-deuteriopropan-2-yl)phenyl]-2-(2-hydroxy-3,5-dimethylphenyl)benzimidazol-4-yl]-5-(4-phenyl-2-pyridinyl)benzene-4-id-1-yl]ethyl]phenyl]-5-[4-(4-methylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-dimethylphenol;platinum
• PubChem CID: 153476368
• Molecular Formula: C111H100N6O2Pt2-2
• Molecular Weight: 1942.23 g/mol
• Exact Mass: 1940.73
• IUPAC Name: 2-[1-[4-(2-tert-butylphenyl)-3-(2-deuteriopropan-2-yl)phenyl]-4-[3-[2-[1-[3-[1-[4-(2-tert-butylphenyl)-3-(2-deuteriopropan-2-yl)phenyl]-2-(2-hydroxy-3,5-dimethylphenyl)benzimidazol-4-yl]-5-(4-phenyl-2-pyridinyl)benzene-4-id-1-yl]ethyl]phenyl]-5-[4-(4-methylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-dimethylphenol;platinum
• SMILES: [2H]C(C)(C)c1cc(-n2c(-c3cc(C)cc(C)c3O)nc3c(-c4[c-]c(-c5cc(-c6ccc(C)cc6)ccn5)cc(-c5ccccc5C(C)c5cc(-c6cc(-c7ccccc7)ccn6)[c-]c(-c6cccc7c6nc(-c6cc(C)cc(C)c6O)n7-c6ccc(-c7ccccc7C(C)(C)C)c(C([2H])(C)C)c6)c5)c4)cccc32)ccc1-c1ccccc1C(C)(C)C.[Pt].[Pt]
• InChI: InChI=1S/C111H100N6O2.2Pt/c1-66(2)94-64-84(44-46-90(94)92-32-22-24-36-98(92)110(11,12)13)116-102-38-26-34-88(104(102)114-108(116)96-54-69(6)52-71(8)106(96)118)80-56-78(57-82(60-80)100-62-76(48-50-112-100)74-28-18-17-19-29-74)73(10)86-30-20-21-31-87(86)79-58-81(61-83(59-79)101-63-77(49-51-113-101)75-42-40-68(5)41-43-75)89-35-27-39-103-105(89)115-109(97-55-70(7)53-72(9)107(97)119)117(103)85-45-47-91(95(65-85)67(3)4)93-33-23-25-37-99(93)111(14,15)16;;/h17-59,62-67,73,118-119H,1-16H3;;/q-2;;/i66D,67D
• InChIKey: TZYOMDKCKWHSFU-CUYVKQKCSA-N
• XLogP: 29.03
• TPSA: 101.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 17
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1942.23
LogP ≤ 5	29.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

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-tert-butylphenyl)-3-(2-deuteriopropan-2-yl)phenyl]-4-[3-[2-[1-[3-[1-[4-(2-tert-butylphenyl)-3-(2-deuteriopropan-2-yl)phenyl]-2-(2-hydroxy-3,5-dimethylphenyl)benzimidazol-4-yl]-5-(4-phenyl-2-pyridinyl)benzene-4-id-1-yl]ethyl]phenyl]-5-[4-(4-methylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-dimethylphenol;platinum?

The IUPAC name of 2-[1-[4-(2-tert-butylphenyl)-3-(2-deuteriopropan-2-yl)phenyl]-4-[3-[2-[1-[3-[1-[4-(2-tert-butylphenyl)-3-(2-deuteriopropan-2-yl)phenyl]-2-(2-hydroxy-3,5-dimethylphenyl)benzimidazol-4-yl]-5-(4-phenyl-2-pyridinyl)benzene-4-id-1-yl]ethyl]phenyl]-5-[4-(4-methylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-dimethylphenol;platinum (CID 153476368) is 2-[1-[4-(2-tert-butylphenyl)-3-(2-deuteriopropan-2-yl)phenyl]-4-[3-[2-[1-[3-[1-[4-(2-tert-butylphenyl)-3-(2-deuteriopropan-2-yl)phenyl]-2-(2-hydroxy-3,5-dimethylphenyl)benzimidazol-4-yl]-5-(4-phenyl-2-pyridinyl)benzene-4-id-1-yl]ethyl]phenyl]-5-[4-(4-methylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-dimethylphenol;platinum.

What is the SMILES notation for 2-[1-[4-(2-tert-butylphenyl)-3-(2-deuteriopropan-2-yl)phenyl]-4-[3-[2-[1-[3-[1-[4-(2-tert-butylphenyl)-3-(2-deuteriopropan-2-yl)phenyl]-2-(2-hydroxy-3,5-dimethylphenyl)benzimidazol-4-yl]-5-(4-phenyl-2-pyridinyl)benzene-4-id-1-yl]ethyl]phenyl]-5-[4-(4-methylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-dimethylphenol;platinum?

The canonical SMILES for 2-[1-[4-(2-tert-butylphenyl)-3-(2-deuteriopropan-2-yl)phenyl]-4-[3-[2-[1-[3-[1-[4-(2-tert-butylphenyl)-3-(2-deuteriopropan-2-yl)phenyl]-2-(2-hydroxy-3,5-dimethylphenyl)benzimidazol-4-yl]-5-(4-phenyl-2-pyridinyl)benzene-4-id-1-yl]ethyl]phenyl]-5-[4-(4-methylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-dimethylphenol;platinum is [2H]C(C)(C)c1cc(-n2c(-c3cc(C)cc(C)c3O)nc3c(-c4[c-]c(-c5cc(-c6ccc(C)cc6)ccn5)cc(-c5ccccc5C(C)c5cc(-c6cc(-c7ccccc7)ccn6)[c-]c(-c6cccc7c6nc(-c6cc(C)cc(C)c6O)n7-c6ccc(-c7ccccc7C(C)(C)C)c(C([2H])(C)C)c6)c5)c4)cccc32)ccc1-c1ccccc1C(C)(C)C.[Pt].[Pt].

What is the InChIKey of 2-[1-[4-(2-tert-butylphenyl)-3-(2-deuteriopropan-2-yl)phenyl]-4-[3-[2-[1-[3-[1-[4-(2-tert-butylphenyl)-3-(2-deuteriopropan-2-yl)phenyl]-2-(2-hydroxy-3,5-dimethylphenyl)benzimidazol-4-yl]-5-(4-phenyl-2-pyridinyl)benzene-4-id-1-yl]ethyl]phenyl]-5-[4-(4-methylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-dimethylphenol;platinum?

The InChIKey is TZYOMDKCKWHSFU-CUYVKQKCSA-N. The full InChI is InChI=1S/C111H100N6O2.2Pt/c1-66(2)94-64-84(44-46-90(94)92-32-22-24-36-98(92)110(11,12)13)116-102-38-26-34-88(104(102)114-108(116)96-54-69(6)52-71(8)106(96)118)80-56-78(57-82(60-80)100-62-76(48-50-112-100)74-28-18-17-19-29-74)73(10)86-30-20-21-31-87(86)79-58-81(61-83(59-79)101-63-77(49-51-113-101)75-42-40-68(5)41-43-75)89-35-27-39-103-105(89)115-109(97-55-70(7)53-72(9)107(97)119)117(103)85-45-47-91(95(65-85)67(3)4)93-33-23-25-37-99(93)111(14,15)16;;/h17-59,62-67,73,118-119H,1-16H3;;/q-2;;/i66D,67D;;.

What are the key properties of 2-[1-[4-(2-tert-butylphenyl)-3-(2-deuteriopropan-2-yl)phenyl]-4-[3-[2-[1-[3-[1-[4-(2-tert-butylphenyl)-3-(2-deuteriopropan-2-yl)phenyl]-2-(2-hydroxy-3,5-dimethylphenyl)benzimidazol-4-yl]-5-(4-phenyl-2-pyridinyl)benzene-4-id-1-yl]ethyl]phenyl]-5-[4-(4-methylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-dimethylphenol;platinum?

2-[1-[4-(2-tert-butylphenyl)-3-(2-deuteriopropan-2-yl)phenyl]-4-[3-[2-[1-[3-[1-[4-(2-tert-butylphenyl)-3-(2-deuteriopropan-2-yl)phenyl]-2-(2-hydroxy-3,5-dimethylphenyl)benzimidazol-4-yl]-5-(4-phenyl-2-pyridinyl)benzene-4-id-1-yl]ethyl]phenyl]-5-[4-(4-methylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-dimethylphenol;platinum has a molecular weight of 1942.23 g/mol, XLogP of 29.03, 17 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[4-(2-tert-butylphenyl)-3-(2-deuteriopropan-2-yl)phenyl]-4-[3-[2-[1-[3-[1-[4-(2-tert-butylphenyl)-3-(2-deuteriopropan-2-yl)phenyl]-2-(2-hydroxy-3,5-dimethylphenyl)benzimidazol-4-yl]-5-(4-phenyl-2-pyridinyl)benzene-4-id-1-yl]ethyl]phenyl]-5-[4-(4-methylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-dimethylphenol;platinum is sourced from PubChem (CID 153476368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).