[1-[3-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-2H-benzimidazol-1-ium-2-id-1-yl]-9-phenylcarbazol-2-yl]-dimethyl-phenylsilane

C60H49N5OSi — CID 166497156

About [1-[3-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-2H-benzimidazol-1-ium-2-id-1-yl]-9-phenylcarbazol-2-yl]-dimethyl-phenylsilane

[1-[3-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-2H-benzimidazol-1-ium-2-id-1-yl]-9-phenylcarbazol-2-yl]-dimethyl-phenylsilane (PubChem CID 166497156) has the molecular formula C60H49N5OSi and a molecular weight of 884.17 g/mol. Its IUPAC name is [1-[3-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-2H-benzimidazol-1-ium-2-id-1-yl]-9-phenylcarbazol-2-yl]-dimethyl-phenylsilane.

Molecular Properties

• Compound Name: [1-[3-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-2H-benzimidazol-1-ium-2-id-1-yl]-9-phenylcarbazol-2-yl]-dimethyl-phenylsilane
• PubChem CID: 166497156
• Molecular Formula: C60H49N5OSi
• Molecular Weight: 884.17 g/mol
• Exact Mass: 883.37
• IUPAC Name: [1-[3-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-2H-benzimidazol-1-ium-2-id-1-yl]-9-phenylcarbazol-2-yl]-dimethyl-phenylsilane
• SMILES: CC(C)(C)c1ccnc(-n2c3ccccc3c3ccc(Oc4cccc(-n5[c-][n+](-c6c([Si](C)(C)c7ccccc7)ccc7c8ccccc8n(-c8ccccc8)c67)c6ccccc65)c4)cc32)c1
• InChI: InChI=1S/C60H49N5OSi/c1-60(2,3)41-35-36-61-57(37-41)65-52-28-15-12-25-47(52)49-32-31-45(39-55(49)65)66-44-22-18-21-43(38-44)62-40-63(54-30-17-16-29-53(54)62)59-56(67(4,5)46-23-10-7-11-24-46)34-33-50-48-26-13-14-27-51(48)64(58(50)59)42-19-8-6-9-20-42/h6-39H,1-5H3
• InChIKey: GIYUBSZEVQNCGM-UHFFFAOYSA-N
• XLogP: 13.21
• TPSA: 40.79 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	884.17
LogP ≤ 5	13.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [1-[3-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-2H-benzimidazol-1-ium-2-id-1-yl]-9-phenylcarbazol-2-yl]-dimethyl-phenylsilane?

The IUPAC name of [1-[3-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-2H-benzimidazol-1-ium-2-id-1-yl]-9-phenylcarbazol-2-yl]-dimethyl-phenylsilane (CID 166497156) is [1-[3-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-2H-benzimidazol-1-ium-2-id-1-yl]-9-phenylcarbazol-2-yl]-dimethyl-phenylsilane.

What is the SMILES notation for [1-[3-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-2H-benzimidazol-1-ium-2-id-1-yl]-9-phenylcarbazol-2-yl]-dimethyl-phenylsilane?

The canonical SMILES for [1-[3-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-2H-benzimidazol-1-ium-2-id-1-yl]-9-phenylcarbazol-2-yl]-dimethyl-phenylsilane is CC(C)(C)c1ccnc(-n2c3ccccc3c3ccc(Oc4cccc(-n5[c-][n+](-c6c([Si](C)(C)c7ccccc7)ccc7c8ccccc8n(-c8ccccc8)c67)c6ccccc65)c4)cc32)c1.

What is the InChIKey of [1-[3-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-2H-benzimidazol-1-ium-2-id-1-yl]-9-phenylcarbazol-2-yl]-dimethyl-phenylsilane?

The InChIKey is GIYUBSZEVQNCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H49N5OSi/c1-60(2,3)41-35-36-61-57(37-41)65-52-28-15-12-25-47(52)49-32-31-45(39-55(49)65)66-44-22-18-21-43(38-44)62-40-63(54-30-17-16-29-53(54)62)59-56(67(4,5)46-23-10-7-11-24-46)34-33-50-48-26-13-14-27-51(48)64(58(50)59)42-19-8-6-9-20-42/h6-39H,1-5H3.

What are the key properties of [1-[3-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-2H-benzimidazol-1-ium-2-id-1-yl]-9-phenylcarbazol-2-yl]-dimethyl-phenylsilane?

[1-[3-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-2H-benzimidazol-1-ium-2-id-1-yl]-9-phenylcarbazol-2-yl]-dimethyl-phenylsilane has a molecular weight of 884.17 g/mol, XLogP of 13.21, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[3-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-2H-benzimidazol-1-ium-2-id-1-yl]-9-phenylcarbazol-2-yl]-dimethyl-phenylsilane is sourced from PubChem (CID 166497156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).