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

C51H50N4OSi2 — CID 171057265

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

[2-[3-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-2H-benzimidazol-1-ium-2-id-1-yl]-3-phenylphenyl]-dimethyl-trimethylsilylsilane (PubChem CID 171057265) has the molecular formula C51H50N4OSi2 and a molecular weight of 791.16 g/mol. Its IUPAC name is [2-[3-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-2H-benzimidazol-1-ium-2-id-1-yl]-3-phenylphenyl]-dimethyl-trimethylsilylsilane.

Molecular Properties

• Compound Name: [2-[3-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-2H-benzimidazol-1-ium-2-id-1-yl]-3-phenylphenyl]-dimethyl-trimethylsilylsilane
• PubChem CID: 171057265
• Molecular Formula: C51H50N4OSi2
• Molecular Weight: 791.16 g/mol
• Exact Mass: 790.35
• IUPAC Name: [2-[3-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-2H-benzimidazol-1-ium-2-id-1-yl]-3-phenylphenyl]-dimethyl-trimethylsilylsilane
• SMILES: CC(C)(C)c1ccnc(-n2c3ccccc3c3ccc(Oc4cccc(-n5[c-][n+](-c6c(-c7ccccc7)cccc6[Si](C)(C)[Si](C)(C)C)c6ccccc65)c4)cc32)c1
• InChI: InChI=1S/C51H50N4OSi2/c1-51(2,3)37-30-31-52-49(32-37)55-44-24-13-12-22-42(44)43-29-28-40(34-47(43)55)56-39-21-16-20-38(33-39)53-35-54(46-26-15-14-25-45(46)53)50-41(36-18-10-9-11-19-36)23-17-27-48(50)58(7,8)57(4,5)6/h9-34H,1-8H3
• InChIKey: XUUZUTDFCCWFOT-UHFFFAOYSA-N
• XLogP: 12.29
• TPSA: 35.86 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	791.16
LogP ≤ 5	12.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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

The IUPAC name of [2-[3-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-2H-benzimidazol-1-ium-2-id-1-yl]-3-phenylphenyl]-dimethyl-trimethylsilylsilane (CID 171057265) is [2-[3-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-2H-benzimidazol-1-ium-2-id-1-yl]-3-phenylphenyl]-dimethyl-trimethylsilylsilane.

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

The canonical SMILES for [2-[3-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-2H-benzimidazol-1-ium-2-id-1-yl]-3-phenylphenyl]-dimethyl-trimethylsilylsilane is CC(C)(C)c1ccnc(-n2c3ccccc3c3ccc(Oc4cccc(-n5[c-][n+](-c6c(-c7ccccc7)cccc6[Si](C)(C)[Si](C)(C)C)c6ccccc65)c4)cc32)c1.

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

The InChIKey is XUUZUTDFCCWFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H50N4OSi2/c1-51(2,3)37-30-31-52-49(32-37)55-44-24-13-12-22-42(44)43-29-28-40(34-47(43)55)56-39-21-16-20-38(33-39)53-35-54(46-26-15-14-25-45(46)53)50-41(36-18-10-9-11-19-36)23-17-27-48(50)58(7,8)57(4,5)6/h9-34H,1-8H3.

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

[2-[3-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-2H-benzimidazol-1-ium-2-id-1-yl]-3-phenylphenyl]-dimethyl-trimethylsilylsilane has a molecular weight of 791.16 g/mol, XLogP of 12.29, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[3-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-2H-benzimidazol-1-ium-2-id-1-yl]-3-phenylphenyl]-dimethyl-trimethylsilylsilane is sourced from PubChem (CID 171057265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).