8-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile

C25H28N2O2Si — CID 66834106

About 8-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile

8-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile (PubChem CID 66834106) has the molecular formula C25H28N2O2Si and a molecular weight of 416.60 g/mol. Its IUPAC name is 8-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile.

Molecular Properties

• Compound Name: 8-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile
• PubChem CID: 66834106
• Molecular Formula: C25H28N2O2Si
• Molecular Weight: 416.60 g/mol
• Exact Mass: 416.19
• IUPAC Name: 8-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile
• SMILES: CC1(C)c2cc(O[Si](C)(C)C(C)(C)C)ccc2C(=O)c2c1[nH]c1cc(C#N)ccc21
• InChI: InChI=1S/C25H28N2O2Si/c1-24(2,3)30(6,7)29-16-9-11-17-19(13-16)25(4,5)23-21(22(17)28)18-10-8-15(14-26)12-20(18)27-23/h8-13,27H,1-7H3
• InChIKey: INSGBIIBCRFLFF-UHFFFAOYSA-N
• XLogP: 6.29
• TPSA: 65.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	416.60
LogP ≤ 5	6.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile?

The IUPAC name of 8-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile (CID 66834106) is 8-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile.

What is the SMILES notation for 8-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile?

The canonical SMILES for 8-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile is CC1(C)c2cc(O[Si](C)(C)C(C)(C)C)ccc2C(=O)c2c1[nH]c1cc(C#N)ccc21.

What is the InChIKey of 8-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile?

The InChIKey is INSGBIIBCRFLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O2Si/c1-24(2,3)30(6,7)29-16-9-11-17-19(13-16)25(4,5)23-21(22(17)28)18-10-8-15(14-26)12-20(18)27-23/h8-13,27H,1-7H3.

What are the key properties of 8-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile?

8-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile has a molecular weight of 416.60 g/mol, XLogP of 6.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile is sourced from PubChem (CID 66834106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).