9-amino-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3,8-dicarbonitrile

C20H14N4O — CID 135211199

IUPAC9-amino-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3,8-dicarbonitrile
SMILESCC1(C)c2cc(C#N)c(N)cc2C(=O)c2c1[nH]c1cc(C#N)ccc21
InChIInChI=1S/C20H14N4O/c1-20(2)14-6-11(9-22)15(23)7-13(14)18(25)17-12-4-3-10(8-21)5-16(12)24-19(17)20/h3-7,24H,23H2,1-2H3
InChIKeyOMLGEKZFBOGHEE-UHFFFAOYSA-N
MW326.36 g/mol
LogP3.36
Rot. Bonds

About 9-amino-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3,8-dicarbonitrile

9-amino-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3,8-dicarbonitrile (PubChem CID 135211199) has the molecular formula C20H14N4O and a molecular weight of 326.36 g/mol. Its IUPAC name is 9-amino-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3,8-dicarbonitrile.

Molecular Properties

Compound Name9-amino-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3,8-dicarbonitrile
PubChem CID135211199
Molecular FormulaC20H14N4O
Molecular Weight326.36 g/mol
Exact Mass326.12
IUPAC Name9-amino-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3,8-dicarbonitrile
SMILESCC1(C)c2cc(C#N)c(N)cc2C(=O)c2c1[nH]c1cc(C#N)ccc21
InChIInChI=1S/C20H14N4O/c1-20(2)14-6-11(9-22)15(23)7-13(14)18(25)17-12-4-3-10(8-21)5-16(12)24-19(17)20/h3-7,24H,23H2,1-2H3
InChIKeyOMLGEKZFBOGHEE-UHFFFAOYSA-N
XLogP3.36
TPSA106.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-amino-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3,8-dicarbonitrile?
The IUPAC name of 9-amino-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3,8-dicarbonitrile (CID 135211199) is 9-amino-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3,8-dicarbonitrile.
What is the SMILES notation for 9-amino-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3,8-dicarbonitrile?
The canonical SMILES for 9-amino-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3,8-dicarbonitrile is CC1(C)c2cc(C#N)c(N)cc2C(=O)c2c1[nH]c1cc(C#N)ccc21.
What is the InChIKey of 9-amino-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3,8-dicarbonitrile?
The InChIKey is OMLGEKZFBOGHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4O/c1-20(2)14-6-11(9-22)15(23)7-13(14)18(25)17-12-4-3-10(8-21)5-16(12)24-19(17)20/h3-7,24H,23H2,1-2H3.
What are the key properties of 9-amino-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3,8-dicarbonitrile?
9-amino-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3,8-dicarbonitrile has a molecular weight of 326.36 g/mol, XLogP of 3.36, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3,8-dicarbonitrile is sourced from PubChem (CID 135211199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).