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

C23H22N2O3 — CID 66834471

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

8-methoxy-6,6-dimethyl-11-oxo-9-propan-2-yloxy-5H-benzo[b]carbazole-3-carbonitrile (PubChem CID 66834471) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is 8-methoxy-6,6-dimethyl-11-oxo-9-propan-2-yloxy-5H-benzo[b]carbazole-3-carbonitrile.

Molecular Properties

• Compound Name: 8-methoxy-6,6-dimethyl-11-oxo-9-propan-2-yloxy-5H-benzo[b]carbazole-3-carbonitrile
• PubChem CID: 66834471
• Molecular Formula: C23H22N2O3
• Molecular Weight: 374.44 g/mol
• Exact Mass: 374.16
• IUPAC Name: 8-methoxy-6,6-dimethyl-11-oxo-9-propan-2-yloxy-5H-benzo[b]carbazole-3-carbonitrile
• SMILES: COc1cc2c(cc1OC(C)C)C(=O)c1c([nH]c3cc(C#N)ccc13)C2(C)C
• InChI: InChI=1S/C23H22N2O3/c1-12(2)28-19-9-15-16(10-18(19)27-5)23(3,4)22-20(21(15)26)14-7-6-13(11-24)8-17(14)25-22/h6-10,12,25H,1-5H3
• InChIKey: BVGBBSYNVVZCKW-UHFFFAOYSA-N
• XLogP: 4.71
• TPSA: 75.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.44
LogP ≤ 5	4.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-6,6-dimethyl-11-oxo-9-propan-2-yloxy-5H-benzo[b]carbazole-3-carbonitrile?

The IUPAC name of 8-methoxy-6,6-dimethyl-11-oxo-9-propan-2-yloxy-5H-benzo[b]carbazole-3-carbonitrile (CID 66834471) is 8-methoxy-6,6-dimethyl-11-oxo-9-propan-2-yloxy-5H-benzo[b]carbazole-3-carbonitrile.

What is the SMILES notation for 8-methoxy-6,6-dimethyl-11-oxo-9-propan-2-yloxy-5H-benzo[b]carbazole-3-carbonitrile?

The canonical SMILES for 8-methoxy-6,6-dimethyl-11-oxo-9-propan-2-yloxy-5H-benzo[b]carbazole-3-carbonitrile is COc1cc2c(cc1OC(C)C)C(=O)c1c([nH]c3cc(C#N)ccc13)C2(C)C.

What is the InChIKey of 8-methoxy-6,6-dimethyl-11-oxo-9-propan-2-yloxy-5H-benzo[b]carbazole-3-carbonitrile?

The InChIKey is BVGBBSYNVVZCKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3/c1-12(2)28-19-9-15-16(10-18(19)27-5)23(3,4)22-20(21(15)26)14-7-6-13(11-24)8-17(14)25-22/h6-10,12,25H,1-5H3.

What are the key properties of 8-methoxy-6,6-dimethyl-11-oxo-9-propan-2-yloxy-5H-benzo[b]carbazole-3-carbonitrile?

8-methoxy-6,6-dimethyl-11-oxo-9-propan-2-yloxy-5H-benzo[b]carbazole-3-carbonitrile has a molecular weight of 374.44 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 8-methoxy-6,6-dimethyl-11-oxo-9-propan-2-yloxy-5H-benzo[b]carbazole-3-carbonitrile is sourced from PubChem (CID 66834471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).