8-ethenoxy-6,6-dimethyl-11-oxo-9-propan-2-yloxy-5H-benzo[b]carbazole-3-carbonitrile

C24H22N2O3 — CID 66834243

IUPAC8-ethenoxy-6,6-dimethyl-11-oxo-9-propan-2-yloxy-5H-benzo[b]carbazole-3-carbonitrile
SMILESC=COc1cc2c(cc1OC(C)C)C(=O)c1c([nH]c3cc(C#N)ccc13)C2(C)C
InChIInChI=1S/C24H22N2O3/c1-6-28-19-11-17-16(10-20(19)29-13(2)3)22(27)21-15-8-7-14(12-25)9-18(15)26-23(21)24(17,4)5/h6-11,13,26H,1H2,2-5H3
InChIKeyFUJPUSWMNRIINS-UHFFFAOYSA-N
MW386.45 g/mol
LogP5.22
Rot. Bonds4

About 8-ethenoxy-6,6-dimethyl-11-oxo-9-propan-2-yloxy-5H-benzo[b]carbazole-3-carbonitrile

8-ethenoxy-6,6-dimethyl-11-oxo-9-propan-2-yloxy-5H-benzo[b]carbazole-3-carbonitrile (PubChem CID 66834243) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is 8-ethenoxy-6,6-dimethyl-11-oxo-9-propan-2-yloxy-5H-benzo[b]carbazole-3-carbonitrile.

Molecular Properties

Compound Name8-ethenoxy-6,6-dimethyl-11-oxo-9-propan-2-yloxy-5H-benzo[b]carbazole-3-carbonitrile
PubChem CID66834243
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC Name8-ethenoxy-6,6-dimethyl-11-oxo-9-propan-2-yloxy-5H-benzo[b]carbazole-3-carbonitrile
SMILESC=COc1cc2c(cc1OC(C)C)C(=O)c1c([nH]c3cc(C#N)ccc13)C2(C)C
InChIInChI=1S/C24H22N2O3/c1-6-28-19-11-17-16(10-20(19)29-13(2)3)22(27)21-15-8-7-14(12-25)9-18(15)26-23(21)24(17,4)5/h6-11,13,26H,1H2,2-5H3
InChIKeyFUJPUSWMNRIINS-UHFFFAOYSA-N
XLogP5.22
TPSA75.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.45
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

3-Chloro-8-(2-diethylaminoethoxy)-6,6-dimethyl-5,6-dihydro-benzo[b]carbazol-11-one
CID 54580866
8-(2-(diethylamino)ethoxy)-6,6-dimethyl-11-oxo-6,11-dihydro-5H-benzo[b]carbazole-3-carbonitrile
CID 54580867
1-(2-(3-cyano-6,6-dimethyl-11-oxo-6,11-dihydro-5H-benzo[b]carbazol-8-yloxy)ethyl)urea
CID 54582850
8-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile
CID 54584815
N-(2-(3-cyano-6,6-dimethyl-11-oxo-6,11-dihydro-5H-benzo[b]carbazol-8-yloxy)ethyl)acetamide
CID 54586751
3-bromo-8-(2-(diethylamino)ethoxy)-6,6-dimethyl-5H-benzo[b]carbazol-11(6H)-one
CID 54587776
2-methoxy-5H-benzo[b]carbazole-6,11-dione
CID 10923849
9-acetyl-8-[2-(diethylamino)ethoxy]-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile
CID 66833908
6,6-Dimethyl-8-(1-methyl-piperidin-4-yloxy)-9-nitro-11-oxo-6,11-dihydro-5H-benzo[b]carbazole-3-carbonitrile
CID 66834432
6,6-dimethyl-8-morpholin-4-yl-11-oxo-9-(oxolan-3-yloxy)-5H-benzo[b]carbazole-3-carbonitrile
CID 68092577
[2-(4-methoxyphenyl)-1H-indol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 71544695
(2E)-2-[(3,4-diethoxyphenyl)methylidene]-6-methyl-4,9-dihydro-3H-carbazol-1-one
CID 155533190

Frequently Asked Questions

What is the IUPAC name of 8-ethenoxy-6,6-dimethyl-11-oxo-9-propan-2-yloxy-5H-benzo[b]carbazole-3-carbonitrile?
The IUPAC name of 8-ethenoxy-6,6-dimethyl-11-oxo-9-propan-2-yloxy-5H-benzo[b]carbazole-3-carbonitrile (CID 66834243) is 8-ethenoxy-6,6-dimethyl-11-oxo-9-propan-2-yloxy-5H-benzo[b]carbazole-3-carbonitrile.
What is the SMILES notation for 8-ethenoxy-6,6-dimethyl-11-oxo-9-propan-2-yloxy-5H-benzo[b]carbazole-3-carbonitrile?
The canonical SMILES for 8-ethenoxy-6,6-dimethyl-11-oxo-9-propan-2-yloxy-5H-benzo[b]carbazole-3-carbonitrile is C=COc1cc2c(cc1OC(C)C)C(=O)c1c([nH]c3cc(C#N)ccc13)C2(C)C.
What is the InChIKey of 8-ethenoxy-6,6-dimethyl-11-oxo-9-propan-2-yloxy-5H-benzo[b]carbazole-3-carbonitrile?
The InChIKey is FUJPUSWMNRIINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3/c1-6-28-19-11-17-16(10-20(19)29-13(2)3)22(27)21-15-8-7-14(12-25)9-18(15)26-23(21)24(17,4)5/h6-11,13,26H,1H2,2-5H3.
What are the key properties of 8-ethenoxy-6,6-dimethyl-11-oxo-9-propan-2-yloxy-5H-benzo[b]carbazole-3-carbonitrile?
8-ethenoxy-6,6-dimethyl-11-oxo-9-propan-2-yloxy-5H-benzo[b]carbazole-3-carbonitrile has a molecular weight of 386.45 g/mol, XLogP of 5.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethenoxy-6,6-dimethyl-11-oxo-9-propan-2-yloxy-5H-benzo[b]carbazole-3-carbonitrile is sourced from PubChem (CID 66834243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).