[3-[6-[2-[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazol-9-yl]-4-(trideuteriomethyl)-3-pyridinyl]phenyl]-triphenylsilane

C65H54N4OSi — CID 164726868

About [3-[6-[2-[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazol-9-yl]-4-(trideuteriomethyl)-3-pyridinyl]phenyl]-triphenylsilane

[3-[6-[2-[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazol-9-yl]-4-(trideuteriomethyl)-3-pyridinyl]phenyl]-triphenylsilane (PubChem CID 164726868) has the molecular formula C65H54N4OSi and a molecular weight of 938.28 g/mol. Its IUPAC name is [3-[6-[2-[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazol-9-yl]-4-(trideuteriomethyl)-3-pyridinyl]phenyl]-triphenylsilane.

Molecular Properties

• Compound Name: [3-[6-[2-[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazol-9-yl]-4-(trideuteriomethyl)-3-pyridinyl]phenyl]-triphenylsilane
• PubChem CID: 164726868
• Molecular Formula: C65H54N4OSi
• Molecular Weight: 938.28 g/mol
• Exact Mass: 937.43
• IUPAC Name: [3-[6-[2-[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazol-9-yl]-4-(trideuteriomethyl)-3-pyridinyl]phenyl]-triphenylsilane
• SMILES: [2H]C([2H])([2H])c1cc(-n2c3ccccc3c3ccc(Oc4cccc(N5CN(c6cccc(C(C)(C)C)c6)c6ccccc65)c4)cc32)ncc1-c1cccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1
• InChI: InChI=1S/C65H54N4OSi/c1-46-39-64(66-44-59(46)47-21-18-32-56(40-47)71(53-26-8-5-9-27-53,54-28-10-6-11-29-54)55-30-12-7-13-31-55)69-60-34-15-14-33-57(60)58-38-37-52(43-63(58)69)70-51-25-20-24-50(42-51)68-45-67(61-35-16-17-36-62(61)68)49-23-19-22-48(41-49)65(2,3)4/h5-44H,45H2,1-4H3/i1D3
• InChIKey: LUSSTNDLXLGCMU-FIBGUPNXSA-N
• XLogP: 13.87
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	938.28
LogP ≤ 5	13.87
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-tert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazol-9-yl]-4-(trideuteriomethyl)-3-pyridinyl]phenyl]-triphenylsilane?

The IUPAC name of [3-[6-[2-[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazol-9-yl]-4-(trideuteriomethyl)-3-pyridinyl]phenyl]-triphenylsilane (CID 164726868) is [3-[6-[2-[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazol-9-yl]-4-(trideuteriomethyl)-3-pyridinyl]phenyl]-triphenylsilane.

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

The canonical SMILES for [3-[6-[2-[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazol-9-yl]-4-(trideuteriomethyl)-3-pyridinyl]phenyl]-triphenylsilane is [2H]C([2H])([2H])c1cc(-n2c3ccccc3c3ccc(Oc4cccc(N5CN(c6cccc(C(C)(C)C)c6)c6ccccc65)c4)cc32)ncc1-c1cccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1.

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

The InChIKey is LUSSTNDLXLGCMU-FIBGUPNXSA-N. The full InChI is InChI=1S/C65H54N4OSi/c1-46-39-64(66-44-59(46)47-21-18-32-56(40-47)71(53-26-8-5-9-27-53,54-28-10-6-11-29-54)55-30-12-7-13-31-55)69-60-34-15-14-33-57(60)58-38-37-52(43-63(58)69)70-51-25-20-24-50(42-51)68-45-67(61-35-16-17-36-62(61)68)49-23-19-22-48(41-49)65(2,3)4/h5-44H,45H2,1-4H3/i1D3.

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

[3-[6-[2-[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazol-9-yl]-4-(trideuteriomethyl)-3-pyridinyl]phenyl]-triphenylsilane has a molecular weight of 938.28 g/mol, XLogP of 13.87, 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-tert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazol-9-yl]-4-(trideuteriomethyl)-3-pyridinyl]phenyl]-triphenylsilane is sourced from PubChem (CID 164726868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).