6,6-dimethyl-8-(oxetan-3-yloxy)-11-oxo-5H-benzo[b]carbazole-3-carbonitrile

C22H18N2O3 — CID 66834482

IUPAC6,6-dimethyl-8-(oxetan-3-yloxy)-11-oxo-5H-benzo[b]carbazole-3-carbonitrile
SMILESCC1(C)c2cc(OC3COC3)ccc2C(=O)c2c1[nH]c1cc(C#N)ccc21
InChIInChI=1S/C22H18N2O3/c1-22(2)17-8-13(27-14-10-26-11-14)4-6-15(17)20(25)19-16-5-3-12(9-23)7-18(16)24-21(19)22/h3-8,14,24H,10-11H2,1-2H3
InChIKeyANGXOLUWLHRSIP-UHFFFAOYSA-N
MW358.40 g/mol
LogP3.69
Rot. Bonds2

About 6,6-dimethyl-8-(oxetan-3-yloxy)-11-oxo-5H-benzo[b]carbazole-3-carbonitrile

6,6-dimethyl-8-(oxetan-3-yloxy)-11-oxo-5H-benzo[b]carbazole-3-carbonitrile (PubChem CID 66834482) has the molecular formula C22H18N2O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is 6,6-dimethyl-8-(oxetan-3-yloxy)-11-oxo-5H-benzo[b]carbazole-3-carbonitrile.

Molecular Properties

Compound Name6,6-dimethyl-8-(oxetan-3-yloxy)-11-oxo-5H-benzo[b]carbazole-3-carbonitrile
PubChem CID66834482
Molecular FormulaC22H18N2O3
Molecular Weight358.40 g/mol
Exact Mass358.13
IUPAC Name6,6-dimethyl-8-(oxetan-3-yloxy)-11-oxo-5H-benzo[b]carbazole-3-carbonitrile
SMILESCC1(C)c2cc(OC3COC3)ccc2C(=O)c2c1[nH]c1cc(C#N)ccc21
InChIInChI=1S/C22H18N2O3/c1-22(2)17-8-13(27-14-10-26-11-14)4-6-15(17)20(25)19-16-5-3-12(9-23)7-18(16)24-21(19)22/h3-8,14,24H,10-11H2,1-2H3
InChIKeyANGXOLUWLHRSIP-UHFFFAOYSA-N
XLogP3.69
TPSA75.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-8-(oxetan-3-yloxy)-11-oxo-5H-benzo[b]carbazole-3-carbonitrile?
The IUPAC name of 6,6-dimethyl-8-(oxetan-3-yloxy)-11-oxo-5H-benzo[b]carbazole-3-carbonitrile (CID 66834482) is 6,6-dimethyl-8-(oxetan-3-yloxy)-11-oxo-5H-benzo[b]carbazole-3-carbonitrile.
What is the SMILES notation for 6,6-dimethyl-8-(oxetan-3-yloxy)-11-oxo-5H-benzo[b]carbazole-3-carbonitrile?
The canonical SMILES for 6,6-dimethyl-8-(oxetan-3-yloxy)-11-oxo-5H-benzo[b]carbazole-3-carbonitrile is CC1(C)c2cc(OC3COC3)ccc2C(=O)c2c1[nH]c1cc(C#N)ccc21.
What is the InChIKey of 6,6-dimethyl-8-(oxetan-3-yloxy)-11-oxo-5H-benzo[b]carbazole-3-carbonitrile?
The InChIKey is ANGXOLUWLHRSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O3/c1-22(2)17-8-13(27-14-10-26-11-14)4-6-15(17)20(25)19-16-5-3-12(9-23)7-18(16)24-21(19)22/h3-8,14,24H,10-11H2,1-2H3.
What are the key properties of 6,6-dimethyl-8-(oxetan-3-yloxy)-11-oxo-5H-benzo[b]carbazole-3-carbonitrile?
6,6-dimethyl-8-(oxetan-3-yloxy)-11-oxo-5H-benzo[b]carbazole-3-carbonitrile has a molecular weight of 358.40 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-8-(oxetan-3-yloxy)-11-oxo-5H-benzo[b]carbazole-3-carbonitrile is sourced from PubChem (CID 66834482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).