5-(1,3-dioxoisoindol-2-yl)-2-[5-(4-methylphenyl)indolo[3,2-c]carbazol-12-yl]benzonitrile

C40H24N4O2 — CID 163673424

About 5-(1,3-dioxoisoindol-2-yl)-2-[5-(4-methylphenyl)indolo[3,2-c]carbazol-12-yl]benzonitrile

5-(1,3-dioxoisoindol-2-yl)-2-[5-(4-methylphenyl)indolo[3,2-c]carbazol-12-yl]benzonitrile (PubChem CID 163673424) has the molecular formula C40H24N4O2 and a molecular weight of 592.66 g/mol. Its IUPAC name is 5-(1,3-dioxoisoindol-2-yl)-2-[5-(4-methylphenyl)indolo[3,2-c]carbazol-12-yl]benzonitrile.

Molecular Properties

• Compound Name: 5-(1,3-dioxoisoindol-2-yl)-2-[5-(4-methylphenyl)indolo[3,2-c]carbazol-12-yl]benzonitrile
• PubChem CID: 163673424
• Molecular Formula: C40H24N4O2
• Molecular Weight: 592.66 g/mol
• Exact Mass: 592.19
• IUPAC Name: 5-(1,3-dioxoisoindol-2-yl)-2-[5-(4-methylphenyl)indolo[3,2-c]carbazol-12-yl]benzonitrile
• SMILES: Cc1ccc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccc(N5C(=O)c6ccccc6C5=O)cc4C#N)c23)cc1
• InChI: InChI=1S/C40H24N4O2/c1-24-14-16-26(17-15-24)42-35-13-7-5-11-32(35)37-36(42)21-19-29-28-8-4-6-12-34(28)44(38(29)37)33-20-18-27(22-25(33)23-41)43-39(45)30-9-2-3-10-31(30)40(43)46/h2-22H,1H3
• InChIKey: JEOBFUFKISQBMW-UHFFFAOYSA-N
• XLogP: 8.86
• TPSA: 71.03 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	592.66
LogP ≤ 5	8.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-dioxoisoindol-2-yl)-2-[5-(4-methylphenyl)indolo[3,2-c]carbazol-12-yl]benzonitrile?

The IUPAC name of 5-(1,3-dioxoisoindol-2-yl)-2-[5-(4-methylphenyl)indolo[3,2-c]carbazol-12-yl]benzonitrile (CID 163673424) is 5-(1,3-dioxoisoindol-2-yl)-2-[5-(4-methylphenyl)indolo[3,2-c]carbazol-12-yl]benzonitrile.

What is the SMILES notation for 5-(1,3-dioxoisoindol-2-yl)-2-[5-(4-methylphenyl)indolo[3,2-c]carbazol-12-yl]benzonitrile?

The canonical SMILES for 5-(1,3-dioxoisoindol-2-yl)-2-[5-(4-methylphenyl)indolo[3,2-c]carbazol-12-yl]benzonitrile is Cc1ccc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccc(N5C(=O)c6ccccc6C5=O)cc4C#N)c23)cc1.

What is the InChIKey of 5-(1,3-dioxoisoindol-2-yl)-2-[5-(4-methylphenyl)indolo[3,2-c]carbazol-12-yl]benzonitrile?

The InChIKey is JEOBFUFKISQBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24N4O2/c1-24-14-16-26(17-15-24)42-35-13-7-5-11-32(35)37-36(42)21-19-29-28-8-4-6-12-34(28)44(38(29)37)33-20-18-27(22-25(33)23-41)43-39(45)30-9-2-3-10-31(30)40(43)46/h2-22H,1H3.

What are the key properties of 5-(1,3-dioxoisoindol-2-yl)-2-[5-(4-methylphenyl)indolo[3,2-c]carbazol-12-yl]benzonitrile?

5-(1,3-dioxoisoindol-2-yl)-2-[5-(4-methylphenyl)indolo[3,2-c]carbazol-12-yl]benzonitrile has a molecular weight of 592.66 g/mol, XLogP of 8.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(1,3-dioxoisoindol-2-yl)-2-[5-(4-methylphenyl)indolo[3,2-c]carbazol-12-yl]benzonitrile is sourced from PubChem (CID 163673424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).