6,6-dimethyl-11-oxo-9-(1,2,3,6-tetrahydropyridin-4-yl)-5H-benzo[b]carbazole-3-carbonitrile

C24H21N3O — CID 66834199

IUPAC6,6-dimethyl-11-oxo-9-(1,2,3,6-tetrahydropyridin-4-yl)-5H-benzo[b]carbazole-3-carbonitrile
SMILESCC1(C)c2ccc(C3=CCNCC3)cc2C(=O)c2c1[nH]c1cc(C#N)ccc21
InChIInChI=1S/C24H21N3O/c1-24(2)19-6-4-16(15-7-9-26-10-8-15)12-18(19)22(28)21-17-5-3-14(13-25)11-20(17)27-23(21)24/h3-7,11-12,26-27H,8-10H2,1-2H3
InChIKeyYFUCLGNZXXEBCD-UHFFFAOYSA-N
MW367.45 g/mol
LogP4.29
Rot. Bonds1

About 6,6-dimethyl-11-oxo-9-(1,2,3,6-tetrahydropyridin-4-yl)-5H-benzo[b]carbazole-3-carbonitrile

6,6-dimethyl-11-oxo-9-(1,2,3,6-tetrahydropyridin-4-yl)-5H-benzo[b]carbazole-3-carbonitrile (PubChem CID 66834199) has the molecular formula C24H21N3O and a molecular weight of 367.45 g/mol. Its IUPAC name is 6,6-dimethyl-11-oxo-9-(1,2,3,6-tetrahydropyridin-4-yl)-5H-benzo[b]carbazole-3-carbonitrile.

Molecular Properties

Compound Name6,6-dimethyl-11-oxo-9-(1,2,3,6-tetrahydropyridin-4-yl)-5H-benzo[b]carbazole-3-carbonitrile
PubChem CID66834199
Molecular FormulaC24H21N3O
Molecular Weight367.45 g/mol
Exact Mass367.17
IUPAC Name6,6-dimethyl-11-oxo-9-(1,2,3,6-tetrahydropyridin-4-yl)-5H-benzo[b]carbazole-3-carbonitrile
SMILESCC1(C)c2ccc(C3=CCNCC3)cc2C(=O)c2c1[nH]c1cc(C#N)ccc21
InChIInChI=1S/C24H21N3O/c1-24(2)19-6-4-16(15-7-9-26-10-8-15)12-18(19)22(28)21-17-5-3-14(13-25)11-20(17)27-23(21)24/h3-7,11-12,26-27H,8-10H2,1-2H3
InChIKeyYFUCLGNZXXEBCD-UHFFFAOYSA-N
XLogP4.29
TPSA68.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6,6-dimethyl-11-oxo-9-(1,2,3,6-tetrahydropyridin-4-yl)-5H-benzo[b]carbazole-3-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-11-oxo-9-(1,2,3,6-tetrahydropyridin-4-yl)-5H-benzo[b]carbazole-3-carbonitrile?
The IUPAC name of 6,6-dimethyl-11-oxo-9-(1,2,3,6-tetrahydropyridin-4-yl)-5H-benzo[b]carbazole-3-carbonitrile (CID 66834199) is 6,6-dimethyl-11-oxo-9-(1,2,3,6-tetrahydropyridin-4-yl)-5H-benzo[b]carbazole-3-carbonitrile.
What is the SMILES notation for 6,6-dimethyl-11-oxo-9-(1,2,3,6-tetrahydropyridin-4-yl)-5H-benzo[b]carbazole-3-carbonitrile?
The canonical SMILES for 6,6-dimethyl-11-oxo-9-(1,2,3,6-tetrahydropyridin-4-yl)-5H-benzo[b]carbazole-3-carbonitrile is CC1(C)c2ccc(C3=CCNCC3)cc2C(=O)c2c1[nH]c1cc(C#N)ccc21.
What is the InChIKey of 6,6-dimethyl-11-oxo-9-(1,2,3,6-tetrahydropyridin-4-yl)-5H-benzo[b]carbazole-3-carbonitrile?
The InChIKey is YFUCLGNZXXEBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O/c1-24(2)19-6-4-16(15-7-9-26-10-8-15)12-18(19)22(28)21-17-5-3-14(13-25)11-20(17)27-23(21)24/h3-7,11-12,26-27H,8-10H2,1-2H3.
What are the key properties of 6,6-dimethyl-11-oxo-9-(1,2,3,6-tetrahydropyridin-4-yl)-5H-benzo[b]carbazole-3-carbonitrile?
6,6-dimethyl-11-oxo-9-(1,2,3,6-tetrahydropyridin-4-yl)-5H-benzo[b]carbazole-3-carbonitrile has a molecular weight of 367.45 g/mol, XLogP of 4.29, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-11-oxo-9-(1,2,3,6-tetrahydropyridin-4-yl)-5H-benzo[b]carbazole-3-carbonitrile is sourced from PubChem (CID 66834199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).