8-[1-(4-tert-butyl-2-phenylphenyl)-2-(3,5-ditert-butyl-2-hydroxyphenyl)benzimidazol-4-yl]-6-[4-(4,6-ditert-butyl-1,3,5-triazin-2-yl)-2-pyridinyl]-3-(2,2-dimethyl-1,3,2-diazasilol-4-yl)dibenzofuran-2-carbonitrile

C70H73N9O2Si — CID 171745982

About 8-[1-(4-tert-butyl-2-phenylphenyl)-2-(3,5-ditert-butyl-2-hydroxyphenyl)benzimidazol-4-yl]-6-[4-(4,6-ditert-butyl-1,3,5-triazin-2-yl)-2-pyridinyl]-3-(2,2-dimethyl-1,3,2-diazasilol-4-yl)dibenzofuran-2-carbonitrile

8-[1-(4-tert-butyl-2-phenylphenyl)-2-(3,5-ditert-butyl-2-hydroxyphenyl)benzimidazol-4-yl]-6-[4-(4,6-ditert-butyl-1,3,5-triazin-2-yl)-2-pyridinyl]-3-(2,2-dimethyl-1,3,2-diazasilol-4-yl)dibenzofuran-2-carbonitrile (PubChem CID 171745982) has the molecular formula C70H73N9O2Si and a molecular weight of 1100.50 g/mol. Its IUPAC name is 8-[1-(4-tert-butyl-2-phenylphenyl)-2-(3,5-ditert-butyl-2-hydroxyphenyl)benzimidazol-4-yl]-6-[4-(4,6-ditert-butyl-1,3,5-triazin-2-yl)-2-pyridinyl]-3-(2,2-dimethyl-1,3,2-diazasilol-4-yl)dibenzofuran-2-carbonitrile.

Molecular Properties

• Compound Name: 8-[1-(4-tert-butyl-2-phenylphenyl)-2-(3,5-ditert-butyl-2-hydroxyphenyl)benzimidazol-4-yl]-6-[4-(4,6-ditert-butyl-1,3,5-triazin-2-yl)-2-pyridinyl]-3-(2,2-dimethyl-1,3,2-diazasilol-4-yl)dibenzofuran-2-carbonitrile
• PubChem CID: 171745982
• Molecular Formula: C70H73N9O2Si
• Molecular Weight: 1100.50 g/mol
• Exact Mass: 1099.57
• IUPAC Name: 8-[1-(4-tert-butyl-2-phenylphenyl)-2-(3,5-ditert-butyl-2-hydroxyphenyl)benzimidazol-4-yl]-6-[4-(4,6-ditert-butyl-1,3,5-triazin-2-yl)-2-pyridinyl]-3-(2,2-dimethyl-1,3,2-diazasilol-4-yl)dibenzofuran-2-carbonitrile
• SMILES: CC(C)(C)c1ccc(-n2c(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)nc3c(-c4cc(-c5cc(-c6nc(C(C)(C)C)nc(C(C)(C)C)n6)ccn5)c5oc6cc(C7=N[Si](C)(C)N=C7)c(C#N)cc6c5c4)cccc32)c(-c2ccccc2)c1
• InChI: InChI=1S/C70H73N9O2Si/c1-66(2,3)44-26-27-56(48(34-44)40-22-19-18-20-23-40)79-57-25-21-24-46(59(57)74-63(79)52-35-45(67(4,5)6)36-53(60(52)80)68(7,8)9)42-30-50-49-32-43(38-71)47(55-39-73-82(16,17)78-55)37-58(49)81-61(50)51(31-42)54-33-41(28-29-72-54)62-75-64(69(10,11)12)77-65(76-62)70(13,14)15/h18-37,39,80H,1-17H3
• InChIKey: FFJWMKPLDVTTBI-UHFFFAOYSA-N
• XLogP: 17.48
• TPSA: 151.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1100.50
LogP ≤ 5	17.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-[1-(4-tert-butyl-2-phenylphenyl)-2-(3,5-ditert-butyl-2-hydroxyphenyl)benzimidazol-4-yl]-6-[4-(4,6-ditert-butyl-1,3,5-triazin-2-yl)-2-pyridinyl]-3-(2,2-dimethyl-1,3,2-diazasilol-4-yl)dibenzofuran-2-carbonitrile?

The IUPAC name of 8-[1-(4-tert-butyl-2-phenylphenyl)-2-(3,5-ditert-butyl-2-hydroxyphenyl)benzimidazol-4-yl]-6-[4-(4,6-ditert-butyl-1,3,5-triazin-2-yl)-2-pyridinyl]-3-(2,2-dimethyl-1,3,2-diazasilol-4-yl)dibenzofuran-2-carbonitrile (CID 171745982) is 8-[1-(4-tert-butyl-2-phenylphenyl)-2-(3,5-ditert-butyl-2-hydroxyphenyl)benzimidazol-4-yl]-6-[4-(4,6-ditert-butyl-1,3,5-triazin-2-yl)-2-pyridinyl]-3-(2,2-dimethyl-1,3,2-diazasilol-4-yl)dibenzofuran-2-carbonitrile.

What is the SMILES notation for 8-[1-(4-tert-butyl-2-phenylphenyl)-2-(3,5-ditert-butyl-2-hydroxyphenyl)benzimidazol-4-yl]-6-[4-(4,6-ditert-butyl-1,3,5-triazin-2-yl)-2-pyridinyl]-3-(2,2-dimethyl-1,3,2-diazasilol-4-yl)dibenzofuran-2-carbonitrile?

The canonical SMILES for 8-[1-(4-tert-butyl-2-phenylphenyl)-2-(3,5-ditert-butyl-2-hydroxyphenyl)benzimidazol-4-yl]-6-[4-(4,6-ditert-butyl-1,3,5-triazin-2-yl)-2-pyridinyl]-3-(2,2-dimethyl-1,3,2-diazasilol-4-yl)dibenzofuran-2-carbonitrile is CC(C)(C)c1ccc(-n2c(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)nc3c(-c4cc(-c5cc(-c6nc(C(C)(C)C)nc(C(C)(C)C)n6)ccn5)c5oc6cc(C7=N[Si](C)(C)N=C7)c(C#N)cc6c5c4)cccc32)c(-c2ccccc2)c1.

What is the InChIKey of 8-[1-(4-tert-butyl-2-phenylphenyl)-2-(3,5-ditert-butyl-2-hydroxyphenyl)benzimidazol-4-yl]-6-[4-(4,6-ditert-butyl-1,3,5-triazin-2-yl)-2-pyridinyl]-3-(2,2-dimethyl-1,3,2-diazasilol-4-yl)dibenzofuran-2-carbonitrile?

The InChIKey is FFJWMKPLDVTTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H73N9O2Si/c1-66(2,3)44-26-27-56(48(34-44)40-22-19-18-20-23-40)79-57-25-21-24-46(59(57)74-63(79)52-35-45(67(4,5)6)36-53(60(52)80)68(7,8)9)42-30-50-49-32-43(38-71)47(55-39-73-82(16,17)78-55)37-58(49)81-61(50)51(31-42)54-33-41(28-29-72-54)62-75-64(69(10,11)12)77-65(76-62)70(13,14)15/h18-37,39,80H,1-17H3.

What are the key properties of 8-[1-(4-tert-butyl-2-phenylphenyl)-2-(3,5-ditert-butyl-2-hydroxyphenyl)benzimidazol-4-yl]-6-[4-(4,6-ditert-butyl-1,3,5-triazin-2-yl)-2-pyridinyl]-3-(2,2-dimethyl-1,3,2-diazasilol-4-yl)dibenzofuran-2-carbonitrile?

8-[1-(4-tert-butyl-2-phenylphenyl)-2-(3,5-ditert-butyl-2-hydroxyphenyl)benzimidazol-4-yl]-6-[4-(4,6-ditert-butyl-1,3,5-triazin-2-yl)-2-pyridinyl]-3-(2,2-dimethyl-1,3,2-diazasilol-4-yl)dibenzofuran-2-carbonitrile has a molecular weight of 1100.50 g/mol, XLogP of 17.48, 7 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[1-(4-tert-butyl-2-phenylphenyl)-2-(3,5-ditert-butyl-2-hydroxyphenyl)benzimidazol-4-yl]-6-[4-(4,6-ditert-butyl-1,3,5-triazin-2-yl)-2-pyridinyl]-3-(2,2-dimethyl-1,3,2-diazasilol-4-yl)dibenzofuran-2-carbonitrile is sourced from PubChem (CID 171745982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).