3-fluoro-8-methoxy-6,6-dimethyl-5H-benzo[b]carbazol-11-one

C19H16FNO2 — CID 66834694

IUPAC3-fluoro-8-methoxy-6,6-dimethyl-5H-benzo[b]carbazol-11-one
SMILESCOc1ccc2c(c1)C(C)(C)c1[nH]c3cc(F)ccc3c1C2=O
InChIInChI=1S/C19H16FNO2/c1-19(2)14-9-11(23-3)5-7-12(14)17(22)16-13-6-4-10(20)8-15(13)21-18(16)19/h4-9,21H,1-3H3
InChIKeyJTFGIALGFLTASL-UHFFFAOYSA-N
MW309.34 g/mol
LogP4.19
Rot. Bonds1

About 3-fluoro-8-methoxy-6,6-dimethyl-5H-benzo[b]carbazol-11-one

3-fluoro-8-methoxy-6,6-dimethyl-5H-benzo[b]carbazol-11-one (PubChem CID 66834694) has the molecular formula C19H16FNO2 and a molecular weight of 309.34 g/mol. Its IUPAC name is 3-fluoro-8-methoxy-6,6-dimethyl-5H-benzo[b]carbazol-11-one.

Molecular Properties

Compound Name3-fluoro-8-methoxy-6,6-dimethyl-5H-benzo[b]carbazol-11-one
PubChem CID66834694
Molecular FormulaC19H16FNO2
Molecular Weight309.34 g/mol
Exact Mass309.12
IUPAC Name3-fluoro-8-methoxy-6,6-dimethyl-5H-benzo[b]carbazol-11-one
SMILESCOc1ccc2c(c1)C(C)(C)c1[nH]c3cc(F)ccc3c1C2=O
InChIInChI=1S/C19H16FNO2/c1-19(2)14-9-11(23-3)5-7-12(14)17(22)16-13-6-4-10(20)8-15(13)21-18(16)19/h4-9,21H,1-3H3
InChIKeyJTFGIALGFLTASL-UHFFFAOYSA-N
XLogP4.19
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-fluoro-8-methoxy-6,6-dimethyl-5H-benzo[b]carbazol-11-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-diamino-8-methoxy-6,6-dimethyl-5H-benzo[b]carbazol-11-one
CID 70194627
5-methoxy-2,2-dimethyl-9-oxo-15,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3(8),4,6,11(16),12,14-heptaene-14-carbonitrile
CID 66835051
8-(2-methoxyethoxy)-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile
CID 66834055
3-amino-6,6-dimethyl-8-piperidin-4-yloxy-5H-benzo[b]carbazol-11-one
CID 70193222
9-bromo-8-methoxy-6,6-dimethyl-3-(trifluoromethoxy)-5H-benzo[b]carbazol-11-one
CID 66835151
3-amino-8-[2-(diethylamino)ethoxy]-6,6-dimethyl-5H-benzo[b]carbazol-11-one
CID 67127731
ethyl 2-[(3-amino-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)oxy]acetate
CID 70194810
8-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile
CID 66834106
8-[(2R)-2,3-dihydroxypropoxy]-6,6-dimethyl-3-sulfanyl-5H-benzo[b]carbazol-11-one
CID 118670145
8-[(2R)-2,3-dihydroxypropoxy]-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile
CID 66833887
8-hydroxy-6,6-dimethyl-5H-benzo[b]carbazol-11-one
CID 141282919
3-amino-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-8-carboxylic acid
CID 70193767

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-8-methoxy-6,6-dimethyl-5H-benzo[b]carbazol-11-one?
The IUPAC name of 3-fluoro-8-methoxy-6,6-dimethyl-5H-benzo[b]carbazol-11-one (CID 66834694) is 3-fluoro-8-methoxy-6,6-dimethyl-5H-benzo[b]carbazol-11-one.
What is the SMILES notation for 3-fluoro-8-methoxy-6,6-dimethyl-5H-benzo[b]carbazol-11-one?
The canonical SMILES for 3-fluoro-8-methoxy-6,6-dimethyl-5H-benzo[b]carbazol-11-one is COc1ccc2c(c1)C(C)(C)c1[nH]c3cc(F)ccc3c1C2=O.
What is the InChIKey of 3-fluoro-8-methoxy-6,6-dimethyl-5H-benzo[b]carbazol-11-one?
The InChIKey is JTFGIALGFLTASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO2/c1-19(2)14-9-11(23-3)5-7-12(14)17(22)16-13-6-4-10(20)8-15(13)21-18(16)19/h4-9,21H,1-3H3.
What are the key properties of 3-fluoro-8-methoxy-6,6-dimethyl-5H-benzo[b]carbazol-11-one?
3-fluoro-8-methoxy-6,6-dimethyl-5H-benzo[b]carbazol-11-one has a molecular weight of 309.34 g/mol, XLogP of 4.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-8-methoxy-6,6-dimethyl-5H-benzo[b]carbazol-11-one is sourced from PubChem (CID 66834694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).