2-[1-[4-[4-[4,6-bis(trimethylsilyl)-1,3,5-triazin-2-yl]phenyl]-2-phenylphenyl]-4-[3-tert-butyl-5-[4-(4-trimethylsilylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]-4,6-ditert-butylphenol

C72H82N6OSi3 — CID 167387907

About 2-[1-[4-[4-[4,6-bis(trimethylsilyl)-1,3,5-triazin-2-yl]phenyl]-2-phenylphenyl]-4-[3-tert-butyl-5-[4-(4-trimethylsilylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]-4,6-ditert-butylphenol

2-[1-[4-[4-[4,6-bis(trimethylsilyl)-1,3,5-triazin-2-yl]phenyl]-2-phenylphenyl]-4-[3-tert-butyl-5-[4-(4-trimethylsilylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]-4,6-ditert-butylphenol (PubChem CID 167387907) has the molecular formula C72H82N6OSi3 and a molecular weight of 1131.75 g/mol. Its IUPAC name is 2-[1-[4-[4-[4,6-bis(trimethylsilyl)-1,3,5-triazin-2-yl]phenyl]-2-phenylphenyl]-4-[3-tert-butyl-5-[4-(4-trimethylsilylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]-4,6-ditert-butylphenol.

Molecular Properties

• Compound Name: 2-[1-[4-[4-[4,6-bis(trimethylsilyl)-1,3,5-triazin-2-yl]phenyl]-2-phenylphenyl]-4-[3-tert-butyl-5-[4-(4-trimethylsilylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]-4,6-ditert-butylphenol
• PubChem CID: 167387907
• Molecular Formula: C72H82N6OSi3
• Molecular Weight: 1131.75 g/mol
• Exact Mass: 1130.59
• IUPAC Name: 2-[1-[4-[4-[4,6-bis(trimethylsilyl)-1,3,5-triazin-2-yl]phenyl]-2-phenylphenyl]-4-[3-tert-butyl-5-[4-(4-trimethylsilylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]-4,6-ditert-butylphenol
• SMILES: CC(C)(C)c1cc(-c2cc(-c3ccc([Si](C)(C)C)cc3)ccn2)cc(-c2cccc3c2nc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)n3-c2ccc(-c3ccc(-c4nc([Si](C)(C)C)nc([Si](C)(C)C)n4)cc3)cc2-c2ccccc2)c1
• InChI: InChI=1S/C72H82N6OSi3/c1-70(2,3)54-40-52(39-53(41-54)61-43-51(37-38-73-61)47-31-34-56(35-32-47)80(10,11)12)57-25-22-26-63-64(57)74-67(59-44-55(71(4,5)6)45-60(65(59)79)72(7,8)9)78(63)62-36-33-50(42-58(62)48-23-20-19-21-24-48)46-27-29-49(30-28-46)66-75-68(81(13,14)15)77-69(76-66)82(16,17)18/h19-45,79H,1-18H3
• InChIKey: WVQUTFGALGFYLE-UHFFFAOYSA-N
• XLogP: 17.51
• TPSA: 89.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1131.75
LogP ≤ 5	17.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-[4-[4,6-bis(trimethylsilyl)-1,3,5-triazin-2-yl]phenyl]-2-phenylphenyl]-4-[3-tert-butyl-5-[4-(4-trimethylsilylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]-4,6-ditert-butylphenol?

The IUPAC name of 2-[1-[4-[4-[4,6-bis(trimethylsilyl)-1,3,5-triazin-2-yl]phenyl]-2-phenylphenyl]-4-[3-tert-butyl-5-[4-(4-trimethylsilylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]-4,6-ditert-butylphenol (CID 167387907) is 2-[1-[4-[4-[4,6-bis(trimethylsilyl)-1,3,5-triazin-2-yl]phenyl]-2-phenylphenyl]-4-[3-tert-butyl-5-[4-(4-trimethylsilylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]-4,6-ditert-butylphenol.

What is the SMILES notation for 2-[1-[4-[4-[4,6-bis(trimethylsilyl)-1,3,5-triazin-2-yl]phenyl]-2-phenylphenyl]-4-[3-tert-butyl-5-[4-(4-trimethylsilylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]-4,6-ditert-butylphenol?

The canonical SMILES for 2-[1-[4-[4-[4,6-bis(trimethylsilyl)-1,3,5-triazin-2-yl]phenyl]-2-phenylphenyl]-4-[3-tert-butyl-5-[4-(4-trimethylsilylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]-4,6-ditert-butylphenol is CC(C)(C)c1cc(-c2cc(-c3ccc([Si](C)(C)C)cc3)ccn2)cc(-c2cccc3c2nc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)n3-c2ccc(-c3ccc(-c4nc([Si](C)(C)C)nc([Si](C)(C)C)n4)cc3)cc2-c2ccccc2)c1.

What is the InChIKey of 2-[1-[4-[4-[4,6-bis(trimethylsilyl)-1,3,5-triazin-2-yl]phenyl]-2-phenylphenyl]-4-[3-tert-butyl-5-[4-(4-trimethylsilylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]-4,6-ditert-butylphenol?

The InChIKey is WVQUTFGALGFYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H82N6OSi3/c1-70(2,3)54-40-52(39-53(41-54)61-43-51(37-38-73-61)47-31-34-56(35-32-47)80(10,11)12)57-25-22-26-63-64(57)74-67(59-44-55(71(4,5)6)45-60(65(59)79)72(7,8)9)78(63)62-36-33-50(42-58(62)48-23-20-19-21-24-48)46-27-29-49(30-28-46)66-75-68(81(13,14)15)77-69(76-66)82(16,17)18/h19-45,79H,1-18H3.

What are the key properties of 2-[1-[4-[4-[4,6-bis(trimethylsilyl)-1,3,5-triazin-2-yl]phenyl]-2-phenylphenyl]-4-[3-tert-butyl-5-[4-(4-trimethylsilylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]-4,6-ditert-butylphenol?

2-[1-[4-[4-[4,6-bis(trimethylsilyl)-1,3,5-triazin-2-yl]phenyl]-2-phenylphenyl]-4-[3-tert-butyl-5-[4-(4-trimethylsilylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]-4,6-ditert-butylphenol has a molecular weight of 1131.75 g/mol, XLogP of 17.51, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[4-[4-[4,6-bis(trimethylsilyl)-1,3,5-triazin-2-yl]phenyl]-2-phenylphenyl]-4-[3-tert-butyl-5-[4-(4-trimethylsilylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]-4,6-ditert-butylphenol is sourced from PubChem (CID 167387907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).