[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-1-yl]phenyl]-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]-diphenylsilane

C56H52N4Si — CID 155651075

About [3-[3-(3-tert-butylphenyl)-2H-benzimidazol-1-yl]phenyl]-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]-diphenylsilane

[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-1-yl]phenyl]-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]-diphenylsilane (PubChem CID 155651075) has the molecular formula C56H52N4Si and a molecular weight of 809.15 g/mol. Its IUPAC name is [3-[3-(3-tert-butylphenyl)-2H-benzimidazol-1-yl]phenyl]-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]-diphenylsilane.

Molecular Properties

• Compound Name: [3-[3-(3-tert-butylphenyl)-2H-benzimidazol-1-yl]phenyl]-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]-diphenylsilane
• PubChem CID: 155651075
• Molecular Formula: C56H52N4Si
• Molecular Weight: 809.15 g/mol
• Exact Mass: 808.40
• IUPAC Name: [3-[3-(3-tert-butylphenyl)-2H-benzimidazol-1-yl]phenyl]-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]-diphenylsilane
• SMILES: CC(C)(C)c1cccc(N2CN(c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccc5c6ccccc6n(-c6cc(C(C)(C)C)ccn6)c5c4)c3)c3ccccc32)c1
• InChI: InChI=1S/C56H52N4Si/c1-55(2,3)40-19-17-20-42(35-40)58-39-59(52-30-16-15-29-51(52)58)43-21-18-26-46(37-43)61(44-22-9-7-10-23-44,45-24-11-8-12-25-45)47-31-32-49-48-27-13-14-28-50(48)60(53(49)38-47)54-36-41(33-34-57-54)56(4,5)6/h7-38H,39H2,1-6H3
• InChIKey: OIQWBCDJAUWKJV-UHFFFAOYSA-N
• XLogP: 11.40
• TPSA: 24.30 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	809.15
LogP ≤ 5	11.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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-[3-(3-tert-butylphenyl)-2H-benzimidazol-1-yl]phenyl]-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]-diphenylsilane?

The IUPAC name of [3-[3-(3-tert-butylphenyl)-2H-benzimidazol-1-yl]phenyl]-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]-diphenylsilane (CID 155651075) is [3-[3-(3-tert-butylphenyl)-2H-benzimidazol-1-yl]phenyl]-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]-diphenylsilane.

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

The canonical SMILES for [3-[3-(3-tert-butylphenyl)-2H-benzimidazol-1-yl]phenyl]-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]-diphenylsilane is CC(C)(C)c1cccc(N2CN(c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccc5c6ccccc6n(-c6cc(C(C)(C)C)ccn6)c5c4)c3)c3ccccc32)c1.

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

The InChIKey is OIQWBCDJAUWKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H52N4Si/c1-55(2,3)40-19-17-20-42(35-40)58-39-59(52-30-16-15-29-51(52)58)43-21-18-26-46(37-43)61(44-22-9-7-10-23-44,45-24-11-8-12-25-45)47-31-32-49-48-27-13-14-28-50(48)60(53(49)38-47)54-36-41(33-34-57-54)56(4,5)6/h7-38H,39H2,1-6H3.

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

[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-1-yl]phenyl]-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]-diphenylsilane has a molecular weight of 809.15 g/mol, XLogP of 11.40, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[3-(3-tert-butylphenyl)-2H-benzimidazol-1-yl]phenyl]-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]-diphenylsilane is sourced from PubChem (CID 155651075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).