5-[9-[1,3-dioxo-2-(2-phenylphenyl)isoindol-4-yl]carbazol-3-yl]benzene-1,3-dicarbonitrile

C40H22N4O2 — CID 134234299

About 5-[9-[1,3-dioxo-2-(2-phenylphenyl)isoindol-4-yl]carbazol-3-yl]benzene-1,3-dicarbonitrile

5-[9-[1,3-dioxo-2-(2-phenylphenyl)isoindol-4-yl]carbazol-3-yl]benzene-1,3-dicarbonitrile (PubChem CID 134234299) has the molecular formula C40H22N4O2 and a molecular weight of 590.64 g/mol. Its IUPAC name is 5-[9-[1,3-dioxo-2-(2-phenylphenyl)isoindol-4-yl]carbazol-3-yl]benzene-1,3-dicarbonitrile.

Molecular Properties

• Compound Name: 5-[9-[1,3-dioxo-2-(2-phenylphenyl)isoindol-4-yl]carbazol-3-yl]benzene-1,3-dicarbonitrile
• PubChem CID: 134234299
• Molecular Formula: C40H22N4O2
• Molecular Weight: 590.64 g/mol
• Exact Mass: 590.17
• IUPAC Name: 5-[9-[1,3-dioxo-2-(2-phenylphenyl)isoindol-4-yl]carbazol-3-yl]benzene-1,3-dicarbonitrile
• SMILES: N#Cc1cc(C#N)cc(-c2ccc3c(c2)c2ccccc2n3-c2cccc3c2C(=O)N(c2ccccc2-c2ccccc2)C3=O)c1
• InChI: InChI=1S/C40H22N4O2/c41-23-25-19-26(24-42)21-29(20-25)28-17-18-36-33(22-28)31-12-5-7-15-35(31)43(36)37-16-8-13-32-38(37)40(46)44(39(32)45)34-14-6-4-11-30(34)27-9-2-1-3-10-27/h1-22H
• InChIKey: AXDRNDVVAGLUDD-UHFFFAOYSA-N
• XLogP: 8.66
• TPSA: 89.89 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	590.64
LogP ≤ 5	8.66
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-[9-[1,3-dioxo-2-(2-phenylphenyl)isoindol-4-yl]carbazol-3-yl]benzene-1,3-dicarbonitrile?

The IUPAC name of 5-[9-[1,3-dioxo-2-(2-phenylphenyl)isoindol-4-yl]carbazol-3-yl]benzene-1,3-dicarbonitrile (CID 134234299) is 5-[9-[1,3-dioxo-2-(2-phenylphenyl)isoindol-4-yl]carbazol-3-yl]benzene-1,3-dicarbonitrile.

What is the SMILES notation for 5-[9-[1,3-dioxo-2-(2-phenylphenyl)isoindol-4-yl]carbazol-3-yl]benzene-1,3-dicarbonitrile?

The canonical SMILES for 5-[9-[1,3-dioxo-2-(2-phenylphenyl)isoindol-4-yl]carbazol-3-yl]benzene-1,3-dicarbonitrile is N#Cc1cc(C#N)cc(-c2ccc3c(c2)c2ccccc2n3-c2cccc3c2C(=O)N(c2ccccc2-c2ccccc2)C3=O)c1.

What is the InChIKey of 5-[9-[1,3-dioxo-2-(2-phenylphenyl)isoindol-4-yl]carbazol-3-yl]benzene-1,3-dicarbonitrile?

The InChIKey is AXDRNDVVAGLUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H22N4O2/c41-23-25-19-26(24-42)21-29(20-25)28-17-18-36-33(22-28)31-12-5-7-15-35(31)43(36)37-16-8-13-32-38(37)40(46)44(39(32)45)34-14-6-4-11-30(34)27-9-2-1-3-10-27/h1-22H.

What are the key properties of 5-[9-[1,3-dioxo-2-(2-phenylphenyl)isoindol-4-yl]carbazol-3-yl]benzene-1,3-dicarbonitrile?

5-[9-[1,3-dioxo-2-(2-phenylphenyl)isoindol-4-yl]carbazol-3-yl]benzene-1,3-dicarbonitrile has a molecular weight of 590.64 g/mol, XLogP of 8.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[9-[1,3-dioxo-2-(2-phenylphenyl)isoindol-4-yl]carbazol-3-yl]benzene-1,3-dicarbonitrile is sourced from PubChem (CID 134234299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).