ethane;3-methyl-4-[9-(2-methyl-1,3-dioxoisoindol-4-yl)carbazol-2-yl]benzonitrile

C31H25N3O2 — CID 142280577

About ethane;3-methyl-4-[9-(2-methyl-1,3-dioxoisoindol-4-yl)carbazol-2-yl]benzonitrile

ethane;3-methyl-4-[9-(2-methyl-1,3-dioxoisoindol-4-yl)carbazol-2-yl]benzonitrile (PubChem CID 142280577) has the molecular formula C31H25N3O2 and a molecular weight of 471.56 g/mol. Its IUPAC name is ethane;3-methyl-4-[9-(2-methyl-1,3-dioxoisoindol-4-yl)carbazol-2-yl]benzonitrile.

Molecular Properties

• Compound Name: ethane;3-methyl-4-[9-(2-methyl-1,3-dioxoisoindol-4-yl)carbazol-2-yl]benzonitrile
• PubChem CID: 142280577
• Molecular Formula: C31H25N3O2
• Molecular Weight: 471.56 g/mol
• Exact Mass: 471.19
• IUPAC Name: ethane;3-methyl-4-[9-(2-methyl-1,3-dioxoisoindol-4-yl)carbazol-2-yl]benzonitrile
• SMILES: CC.Cc1cc(C#N)ccc1-c1ccc2c3ccccc3n(-c3cccc4c3C(=O)N(C)C4=O)c2c1
• InChI: InChI=1S/C29H19N3O2.C2H6/c1-17-14-18(16-30)10-12-20(17)19-11-13-22-21-6-3-4-8-24(21)32(26(22)15-19)25-9-5-7-23-27(25)29(34)31(2)28(23)33;1-2/h3-15H,1-2H3;1-2H3
• InChIKey: UDOPPROHYZFNDJ-UHFFFAOYSA-N
• XLogP: 6.88
• TPSA: 66.10 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	471.56
LogP ≤ 5	6.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-4-[9-(2-methyl-1,3-dioxoisoindol-4-yl)carbazol-2-yl]benzonitrile?

The IUPAC name of ethane;3-methyl-4-[9-(2-methyl-1,3-dioxoisoindol-4-yl)carbazol-2-yl]benzonitrile (CID 142280577) is ethane;3-methyl-4-[9-(2-methyl-1,3-dioxoisoindol-4-yl)carbazol-2-yl]benzonitrile.

What is the SMILES notation for ethane;3-methyl-4-[9-(2-methyl-1,3-dioxoisoindol-4-yl)carbazol-2-yl]benzonitrile?

The canonical SMILES for ethane;3-methyl-4-[9-(2-methyl-1,3-dioxoisoindol-4-yl)carbazol-2-yl]benzonitrile is CC.Cc1cc(C#N)ccc1-c1ccc2c3ccccc3n(-c3cccc4c3C(=O)N(C)C4=O)c2c1.

What is the InChIKey of ethane;3-methyl-4-[9-(2-methyl-1,3-dioxoisoindol-4-yl)carbazol-2-yl]benzonitrile?

The InChIKey is UDOPPROHYZFNDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19N3O2.C2H6/c1-17-14-18(16-30)10-12-20(17)19-11-13-22-21-6-3-4-8-24(21)32(26(22)15-19)25-9-5-7-23-27(25)29(34)31(2)28(23)33;1-2/h3-15H,1-2H3;1-2H3.

What are the key properties of ethane;3-methyl-4-[9-(2-methyl-1,3-dioxoisoindol-4-yl)carbazol-2-yl]benzonitrile?

ethane;3-methyl-4-[9-(2-methyl-1,3-dioxoisoindol-4-yl)carbazol-2-yl]benzonitrile has a molecular weight of 471.56 g/mol, XLogP of 6.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;3-methyl-4-[9-(2-methyl-1,3-dioxoisoindol-4-yl)carbazol-2-yl]benzonitrile is sourced from PubChem (CID 142280577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).