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

C25H28N2O2Si — CID 66834106

IUPAC8-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile
SMILESCC1(C)c2cc(O[Si](C)(C)C(C)(C)C)ccc2C(=O)c2c1[nH]c1cc(C#N)ccc21
InChIInChI=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
InChIKeyINSGBIIBCRFLFF-UHFFFAOYSA-N
MW416.60 g/mol
LogP6.29
Rot. Bonds2

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 Name8-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile
PubChem CID66834106
Molecular FormulaC25H28N2O2Si
Molecular Weight416.60 g/mol
Exact Mass416.19
IUPAC Name8-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile
SMILESCC1(C)c2cc(O[Si](C)(C)C(C)(C)C)ccc2C(=O)c2c1[nH]c1cc(C#N)ccc21
InChIInChI=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
InChIKeyINSGBIIBCRFLFF-UHFFFAOYSA-N
XLogP6.29
TPSA65.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.60
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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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).