2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-[4-[4-(2-methyl-4-trimethylsilylphenyl)phenyl]-2-pyridinyl]phenyl]benzimidazol-2-yl]-3,5-dideuterio-4,6-bis[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenol

C64H67N3OSi — CID 171425099

About 2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-[4-[4-(2-methyl-4-trimethylsilylphenyl)phenyl]-2-pyridinyl]phenyl]benzimidazol-2-yl]-3,5-dideuterio-4,6-bis[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenol

2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-[4-[4-(2-methyl-4-trimethylsilylphenyl)phenyl]-2-pyridinyl]phenyl]benzimidazol-2-yl]-3,5-dideuterio-4,6-bis[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenol (PubChem CID 171425099) has the molecular formula C64H67N3OSi and a molecular weight of 942.47 g/mol. Its IUPAC name is 2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-[4-[4-(2-methyl-4-trimethylsilylphenyl)phenyl]-2-pyridinyl]phenyl]benzimidazol-2-yl]-3,5-dideuterio-4,6-bis[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenol.

Molecular Properties

• Compound Name: 2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-[4-[4-(2-methyl-4-trimethylsilylphenyl)phenyl]-2-pyridinyl]phenyl]benzimidazol-2-yl]-3,5-dideuterio-4,6-bis[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenol
• PubChem CID: 171425099
• Molecular Formula: C64H67N3OSi
• Molecular Weight: 942.47 g/mol
• Exact Mass: 941.63
• IUPAC Name: 2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-[4-[4-(2-methyl-4-trimethylsilylphenyl)phenyl]-2-pyridinyl]phenyl]benzimidazol-2-yl]-3,5-dideuterio-4,6-bis[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenol
• SMILES: [2H]c1c(-c2nc3c(-c4cccc(-c5cc(-c6ccc(-c7ccc([Si](C)(C)C)cc7C)cc6)ccn5)c4)cccc3n2-c2ccc(C(C)(C)C)cc2-c2ccccc2)c(O)c(C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])c([2H])c1C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H]
• InChI: InChI=1S/C64H67N3OSi/c1-41-35-50(69(11,12)13)30-31-51(41)44-27-25-42(26-28-44)45-33-34-65-56(37-45)47-22-17-21-46(36-47)52-23-18-24-58-59(52)66-61(54-39-49(63(5,6)7)40-55(60(54)68)64(8,9)10)67(58)57-32-29-48(62(2,3)4)38-53(57)43-19-15-14-16-20-43/h14-40,68H,1-13H3/i5D3,6D3,7D3,8D3,9D3,10D3,39D,40D
• InChIKey: XPPSEKMEOWQWEY-IVGHNLAZSA-N
• XLogP: 16.87
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	942.47
LogP ≤ 5	16.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-[4-[4-(2-methyl-4-trimethylsilylphenyl)phenyl]-2-pyridinyl]phenyl]benzimidazol-2-yl]-3,5-dideuterio-4,6-bis[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenol?

The IUPAC name of 2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-[4-[4-(2-methyl-4-trimethylsilylphenyl)phenyl]-2-pyridinyl]phenyl]benzimidazol-2-yl]-3,5-dideuterio-4,6-bis[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenol (CID 171425099) is 2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-[4-[4-(2-methyl-4-trimethylsilylphenyl)phenyl]-2-pyridinyl]phenyl]benzimidazol-2-yl]-3,5-dideuterio-4,6-bis[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenol.

What is the SMILES notation for 2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-[4-[4-(2-methyl-4-trimethylsilylphenyl)phenyl]-2-pyridinyl]phenyl]benzimidazol-2-yl]-3,5-dideuterio-4,6-bis[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenol?

The canonical SMILES for 2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-[4-[4-(2-methyl-4-trimethylsilylphenyl)phenyl]-2-pyridinyl]phenyl]benzimidazol-2-yl]-3,5-dideuterio-4,6-bis[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenol is [2H]c1c(-c2nc3c(-c4cccc(-c5cc(-c6ccc(-c7ccc([Si](C)(C)C)cc7C)cc6)ccn5)c4)cccc3n2-c2ccc(C(C)(C)C)cc2-c2ccccc2)c(O)c(C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])c([2H])c1C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H].

What is the InChIKey of 2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-[4-[4-(2-methyl-4-trimethylsilylphenyl)phenyl]-2-pyridinyl]phenyl]benzimidazol-2-yl]-3,5-dideuterio-4,6-bis[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenol?

The InChIKey is XPPSEKMEOWQWEY-IVGHNLAZSA-N. The full InChI is InChI=1S/C64H67N3OSi/c1-41-35-50(69(11,12)13)30-31-51(41)44-27-25-42(26-28-44)45-33-34-65-56(37-45)47-22-17-21-46(36-47)52-23-18-24-58-59(52)66-61(54-39-49(63(5,6)7)40-55(60(54)68)64(8,9)10)67(58)57-32-29-48(62(2,3)4)38-53(57)43-19-15-14-16-20-43/h14-40,68H,1-13H3/i5D3,6D3,7D3,8D3,9D3,10D3,39D,40D.

What are the key properties of 2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-[4-[4-(2-methyl-4-trimethylsilylphenyl)phenyl]-2-pyridinyl]phenyl]benzimidazol-2-yl]-3,5-dideuterio-4,6-bis[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenol?

2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-[4-[4-(2-methyl-4-trimethylsilylphenyl)phenyl]-2-pyridinyl]phenyl]benzimidazol-2-yl]-3,5-dideuterio-4,6-bis[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenol has a molecular weight of 942.47 g/mol, XLogP of 16.87, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-[4-[4-(2-methyl-4-trimethylsilylphenyl)phenyl]-2-pyridinyl]phenyl]benzimidazol-2-yl]-3,5-dideuterio-4,6-bis[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenol is sourced from PubChem (CID 171425099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).