8-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-5,5-dimethyl-2-phenyl-1H-imidazo[5,1-c][2,4,1]benzoxazasilin-2-ium-1-ide

C38H34N4O2Si — CID 171057341

About 8-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-5,5-dimethyl-2-phenyl-1H-imidazo[5,1-c][2,4,1]benzoxazasilin-2-ium-1-ide

8-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-5,5-dimethyl-2-phenyl-1H-imidazo[5,1-c][2,4,1]benzoxazasilin-2-ium-1-ide (PubChem CID 171057341) has the molecular formula C38H34N4O2Si and a molecular weight of 606.80 g/mol. Its IUPAC name is 8-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-5,5-dimethyl-2-phenyl-1H-imidazo[5,1-c][2,4,1]benzoxazasilin-2-ium-1-ide.

Molecular Properties

• Compound Name: 8-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-5,5-dimethyl-2-phenyl-1H-imidazo[5,1-c][2,4,1]benzoxazasilin-2-ium-1-ide
• PubChem CID: 171057341
• Molecular Formula: C38H34N4O2Si
• Molecular Weight: 606.80 g/mol
• Exact Mass: 606.25
• IUPAC Name: 8-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-5,5-dimethyl-2-phenyl-1H-imidazo[5,1-c][2,4,1]benzoxazasilin-2-ium-1-ide
• SMILES: CC(C)(C)c1ccnc(-n2c3ccccc3c3ccc(Oc4ccc5c(c4)-n4[c-][n+](-c6ccccc6)cc4O[Si]5(C)C)cc32)c1
• InChI: InChI=1S/C38H34N4O2Si/c1-38(2,3)26-19-20-39-36(21-26)42-32-14-10-9-13-30(32)31-17-15-28(22-33(31)42)43-29-16-18-35-34(23-29)41-25-40(27-11-7-6-8-12-27)24-37(41)44-45(35,4)5/h6-24H,1-5H3
• InChIKey: SBTNNSKJJOLYOZ-UHFFFAOYSA-N
• XLogP: 7.94
• TPSA: 45.09 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	606.80
LogP ≤ 5	7.94
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 8-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-5,5-dimethyl-2-phenyl-1H-imidazo[5,1-c][2,4,1]benzoxazasilin-2-ium-1-ide?

The IUPAC name of 8-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-5,5-dimethyl-2-phenyl-1H-imidazo[5,1-c][2,4,1]benzoxazasilin-2-ium-1-ide (CID 171057341) is 8-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-5,5-dimethyl-2-phenyl-1H-imidazo[5,1-c][2,4,1]benzoxazasilin-2-ium-1-ide.

What is the SMILES notation for 8-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-5,5-dimethyl-2-phenyl-1H-imidazo[5,1-c][2,4,1]benzoxazasilin-2-ium-1-ide?

The canonical SMILES for 8-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-5,5-dimethyl-2-phenyl-1H-imidazo[5,1-c][2,4,1]benzoxazasilin-2-ium-1-ide is CC(C)(C)c1ccnc(-n2c3ccccc3c3ccc(Oc4ccc5c(c4)-n4[c-][n+](-c6ccccc6)cc4O[Si]5(C)C)cc32)c1.

What is the InChIKey of 8-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-5,5-dimethyl-2-phenyl-1H-imidazo[5,1-c][2,4,1]benzoxazasilin-2-ium-1-ide?

The InChIKey is SBTNNSKJJOLYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H34N4O2Si/c1-38(2,3)26-19-20-39-36(21-26)42-32-14-10-9-13-30(32)31-17-15-28(22-33(31)42)43-29-16-18-35-34(23-29)41-25-40(27-11-7-6-8-12-27)24-37(41)44-45(35,4)5/h6-24H,1-5H3.

What are the key properties of 8-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-5,5-dimethyl-2-phenyl-1H-imidazo[5,1-c][2,4,1]benzoxazasilin-2-ium-1-ide?

8-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-5,5-dimethyl-2-phenyl-1H-imidazo[5,1-c][2,4,1]benzoxazasilin-2-ium-1-ide has a molecular weight of 606.80 g/mol, XLogP of 7.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-5,5-dimethyl-2-phenyl-1H-imidazo[5,1-c][2,4,1]benzoxazasilin-2-ium-1-ide is sourced from PubChem (CID 171057341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).