[3-[6-[2-[3-[3-(3,5-ditert-butylphenyl)-4-phenyl-2H-benzimidazol-1-yl]phenoxy]carbazol-9-yl]-4-methyl-3-pyridinyl]phenyl]-triphenylsilane

C75H66N4OSi — CID 164726825

About [3-[6-[2-[3-[3-(3,5-ditert-butylphenyl)-4-phenyl-2H-benzimidazol-1-yl]phenoxy]carbazol-9-yl]-4-methyl-3-pyridinyl]phenyl]-triphenylsilane

[3-[6-[2-[3-[3-(3,5-ditert-butylphenyl)-4-phenyl-2H-benzimidazol-1-yl]phenoxy]carbazol-9-yl]-4-methyl-3-pyridinyl]phenyl]-triphenylsilane (PubChem CID 164726825) has the molecular formula C75H66N4OSi and a molecular weight of 1067.47 g/mol. Its IUPAC name is [3-[6-[2-[3-[3-(3,5-ditert-butylphenyl)-4-phenyl-2H-benzimidazol-1-yl]phenoxy]carbazol-9-yl]-4-methyl-3-pyridinyl]phenyl]-triphenylsilane.

Molecular Properties

• Compound Name: [3-[6-[2-[3-[3-(3,5-ditert-butylphenyl)-4-phenyl-2H-benzimidazol-1-yl]phenoxy]carbazol-9-yl]-4-methyl-3-pyridinyl]phenyl]-triphenylsilane
• PubChem CID: 164726825
• Molecular Formula: C75H66N4OSi
• Molecular Weight: 1067.47 g/mol
• Exact Mass: 1066.50
• IUPAC Name: [3-[6-[2-[3-[3-(3,5-ditert-butylphenyl)-4-phenyl-2H-benzimidazol-1-yl]phenoxy]carbazol-9-yl]-4-methyl-3-pyridinyl]phenyl]-triphenylsilane
• SMILES: Cc1cc(-n2c3ccccc3c3ccc(Oc4cccc(N5CN(c6cc(C(C)(C)C)cc(C(C)(C)C)c6)c6c(-c7ccccc7)cccc65)c4)cc32)ncc1-c1cccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1
• InChI: InChI=1S/C75H66N4OSi/c1-52-43-72(76-50-68(52)54-27-22-36-64(44-54)81(61-30-14-9-15-31-61,62-32-16-10-17-33-62)63-34-18-11-19-35-63)79-69-39-21-20-37-66(69)67-42-41-60(49-71(67)79)80-59-29-23-28-57(48-59)77-51-78(58-46-55(74(2,3)4)45-56(47-58)75(5,6)7)73-65(38-24-40-70(73)77)53-25-12-8-13-26-53/h8-50H,51H2,1-7H3
• InChIKey: MSXDNSJTTCXGMG-UHFFFAOYSA-N
• XLogP: 16.83
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1067.47
LogP ≤ 5	16.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [3-[6-[2-[3-[3-(3,5-ditert-butylphenyl)-4-phenyl-2H-benzimidazol-1-yl]phenoxy]carbazol-9-yl]-4-methyl-3-pyridinyl]phenyl]-triphenylsilane?

The IUPAC name of [3-[6-[2-[3-[3-(3,5-ditert-butylphenyl)-4-phenyl-2H-benzimidazol-1-yl]phenoxy]carbazol-9-yl]-4-methyl-3-pyridinyl]phenyl]-triphenylsilane (CID 164726825) is [3-[6-[2-[3-[3-(3,5-ditert-butylphenyl)-4-phenyl-2H-benzimidazol-1-yl]phenoxy]carbazol-9-yl]-4-methyl-3-pyridinyl]phenyl]-triphenylsilane.

What is the SMILES notation for [3-[6-[2-[3-[3-(3,5-ditert-butylphenyl)-4-phenyl-2H-benzimidazol-1-yl]phenoxy]carbazol-9-yl]-4-methyl-3-pyridinyl]phenyl]-triphenylsilane?

The canonical SMILES for [3-[6-[2-[3-[3-(3,5-ditert-butylphenyl)-4-phenyl-2H-benzimidazol-1-yl]phenoxy]carbazol-9-yl]-4-methyl-3-pyridinyl]phenyl]-triphenylsilane is Cc1cc(-n2c3ccccc3c3ccc(Oc4cccc(N5CN(c6cc(C(C)(C)C)cc(C(C)(C)C)c6)c6c(-c7ccccc7)cccc65)c4)cc32)ncc1-c1cccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1.

What is the InChIKey of [3-[6-[2-[3-[3-(3,5-ditert-butylphenyl)-4-phenyl-2H-benzimidazol-1-yl]phenoxy]carbazol-9-yl]-4-methyl-3-pyridinyl]phenyl]-triphenylsilane?

The InChIKey is MSXDNSJTTCXGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H66N4OSi/c1-52-43-72(76-50-68(52)54-27-22-36-64(44-54)81(61-30-14-9-15-31-61,62-32-16-10-17-33-62)63-34-18-11-19-35-63)79-69-39-21-20-37-66(69)67-42-41-60(49-71(67)79)80-59-29-23-28-57(48-59)77-51-78(58-46-55(74(2,3)4)45-56(47-58)75(5,6)7)73-65(38-24-40-70(73)77)53-25-12-8-13-26-53/h8-50H,51H2,1-7H3.

What are the key properties of [3-[6-[2-[3-[3-(3,5-ditert-butylphenyl)-4-phenyl-2H-benzimidazol-1-yl]phenoxy]carbazol-9-yl]-4-methyl-3-pyridinyl]phenyl]-triphenylsilane?

[3-[6-[2-[3-[3-(3,5-ditert-butylphenyl)-4-phenyl-2H-benzimidazol-1-yl]phenoxy]carbazol-9-yl]-4-methyl-3-pyridinyl]phenyl]-triphenylsilane has a molecular weight of 1067.47 g/mol, XLogP of 16.83, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[6-[2-[3-[3-(3,5-ditert-butylphenyl)-4-phenyl-2H-benzimidazol-1-yl]phenoxy]carbazol-9-yl]-4-methyl-3-pyridinyl]phenyl]-triphenylsilane is sourced from PubChem (CID 164726825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).