9-bromo-11,11-dimethyl-6-oxo-5H-benzo[b]carbazole-3-carbonitrile

C19H13BrN2O — CID 141372029

IUPAC9-bromo-11,11-dimethyl-6-oxo-5H-benzo[b]carbazole-3-carbonitrile
SMILESCC1(C)c2cc(Br)ccc2C(=O)c2[nH]c3cc(C#N)ccc3c21
InChIInChI=1S/C19H13BrN2O/c1-19(2)14-8-11(20)4-6-12(14)18(23)17-16(19)13-5-3-10(9-21)7-15(13)22-17/h3-8,22H,1-2H3
InChIKeyLRIZJOMKNIYZFH-UHFFFAOYSA-N
MW365.23 g/mol
LogP4.67
Rot. Bonds

About 9-bromo-11,11-dimethyl-6-oxo-5H-benzo[b]carbazole-3-carbonitrile

9-bromo-11,11-dimethyl-6-oxo-5H-benzo[b]carbazole-3-carbonitrile (PubChem CID 141372029) has the molecular formula C19H13BrN2O and a molecular weight of 365.23 g/mol. Its IUPAC name is 9-bromo-11,11-dimethyl-6-oxo-5H-benzo[b]carbazole-3-carbonitrile.

Molecular Properties

Compound Name9-bromo-11,11-dimethyl-6-oxo-5H-benzo[b]carbazole-3-carbonitrile
PubChem CID141372029
Molecular FormulaC19H13BrN2O
Molecular Weight365.23 g/mol
Exact Mass364.02
IUPAC Name9-bromo-11,11-dimethyl-6-oxo-5H-benzo[b]carbazole-3-carbonitrile
SMILESCC1(C)c2cc(Br)ccc2C(=O)c2[nH]c3cc(C#N)ccc3c21
InChIInChI=1S/C19H13BrN2O/c1-19(2)14-8-11(20)4-6-12(14)18(23)17-16(19)13-5-3-10(9-21)7-15(13)22-17/h3-8,22H,1-2H3
InChIKeyLRIZJOMKNIYZFH-UHFFFAOYSA-N
XLogP4.67
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.23
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-(2-methoxyethoxy)-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile
CID 66834055
N-(2-aminoethyl)-3-cyano-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-8-carboxamide
CID 66834421
3-cyano-N-(1,3-dihydroxypropan-2-yl)-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-8-carboxamide
CID 66834824
8-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile
CID 66834106
6,6-dimethyl-11-oxo-8-piperazin-1-yl-5H-benzo[b]carbazole-3-carbonitrile
CID 54578542
8-[(1-aminosulfanylpiperidin-4-yl)methyl]-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile
CID 135211180
N-[2-[(3-cyano-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)oxy]ethyl]acetamide
CID 54586751
9-amino-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3,8-dicarbonitrile
CID 135211199
8-[(2R)-2,3-dihydroxypropoxy]-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile
CID 66833887
9-bromo-6,6-dimethyl-11-oxo-8-piperazin-1-yl-5H-benzo[b]carbazole-3-carbonitrile
CID 54578771
3,9-dibromo-7,7-dimethyl-5H-indeno[2,1-b]carbazole
CID 156904639
9-ethyl-6,6,8-trimethyl-11-methylidene-5H-benzo[b]carbazole-3-carbonitrile
CID 134375530

Frequently Asked Questions

What is the IUPAC name of 9-bromo-11,11-dimethyl-6-oxo-5H-benzo[b]carbazole-3-carbonitrile?
The IUPAC name of 9-bromo-11,11-dimethyl-6-oxo-5H-benzo[b]carbazole-3-carbonitrile (CID 141372029) is 9-bromo-11,11-dimethyl-6-oxo-5H-benzo[b]carbazole-3-carbonitrile.
What is the SMILES notation for 9-bromo-11,11-dimethyl-6-oxo-5H-benzo[b]carbazole-3-carbonitrile?
The canonical SMILES for 9-bromo-11,11-dimethyl-6-oxo-5H-benzo[b]carbazole-3-carbonitrile is CC1(C)c2cc(Br)ccc2C(=O)c2[nH]c3cc(C#N)ccc3c21.
What is the InChIKey of 9-bromo-11,11-dimethyl-6-oxo-5H-benzo[b]carbazole-3-carbonitrile?
The InChIKey is LRIZJOMKNIYZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrN2O/c1-19(2)14-8-11(20)4-6-12(14)18(23)17-16(19)13-5-3-10(9-21)7-15(13)22-17/h3-8,22H,1-2H3.
What are the key properties of 9-bromo-11,11-dimethyl-6-oxo-5H-benzo[b]carbazole-3-carbonitrile?
9-bromo-11,11-dimethyl-6-oxo-5H-benzo[b]carbazole-3-carbonitrile has a molecular weight of 365.23 g/mol, XLogP of 4.67, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-11,11-dimethyl-6-oxo-5H-benzo[b]carbazole-3-carbonitrile is sourced from PubChem (CID 141372029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).