6-[9-[1,3-dioxo-2-(4-phenylphenyl)isoindol-4-yl]carbazol-3-yl]pyridine-2-carbonitrile

C38H22N4O2 — CID 134234685

About 6-[9-[1,3-dioxo-2-(4-phenylphenyl)isoindol-4-yl]carbazol-3-yl]pyridine-2-carbonitrile

6-[9-[1,3-dioxo-2-(4-phenylphenyl)isoindol-4-yl]carbazol-3-yl]pyridine-2-carbonitrile (PubChem CID 134234685) has the molecular formula C38H22N4O2 and a molecular weight of 566.62 g/mol. Its IUPAC name is 6-[9-[1,3-dioxo-2-(4-phenylphenyl)isoindol-4-yl]carbazol-3-yl]pyridine-2-carbonitrile.

Molecular Properties

• Compound Name: 6-[9-[1,3-dioxo-2-(4-phenylphenyl)isoindol-4-yl]carbazol-3-yl]pyridine-2-carbonitrile
• PubChem CID: 134234685
• Molecular Formula: C38H22N4O2
• Molecular Weight: 566.62 g/mol
• Exact Mass: 566.17
• IUPAC Name: 6-[9-[1,3-dioxo-2-(4-phenylphenyl)isoindol-4-yl]carbazol-3-yl]pyridine-2-carbonitrile
• SMILES: N#Cc1cccc(-c2ccc3c(c2)c2ccccc2n3-c2cccc3c2C(=O)N(c2ccc(-c4ccccc4)cc2)C3=O)n1
• InChI: InChI=1S/C38H22N4O2/c39-23-27-10-6-13-32(40-27)26-18-21-34-31(22-26)29-11-4-5-14-33(29)42(34)35-15-7-12-30-36(35)38(44)41(37(30)43)28-19-16-25(17-20-28)24-8-2-1-3-9-24/h1-22H
• InChIKey: XMMFVPWDKGQLKU-UHFFFAOYSA-N
• XLogP: 8.18
• TPSA: 78.99 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	566.62
LogP ≤ 5	8.18
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 6-[9-[1,3-dioxo-2-(4-phenylphenyl)isoindol-4-yl]carbazol-3-yl]pyridine-2-carbonitrile?

The IUPAC name of 6-[9-[1,3-dioxo-2-(4-phenylphenyl)isoindol-4-yl]carbazol-3-yl]pyridine-2-carbonitrile (CID 134234685) is 6-[9-[1,3-dioxo-2-(4-phenylphenyl)isoindol-4-yl]carbazol-3-yl]pyridine-2-carbonitrile.

What is the SMILES notation for 6-[9-[1,3-dioxo-2-(4-phenylphenyl)isoindol-4-yl]carbazol-3-yl]pyridine-2-carbonitrile?

The canonical SMILES for 6-[9-[1,3-dioxo-2-(4-phenylphenyl)isoindol-4-yl]carbazol-3-yl]pyridine-2-carbonitrile is N#Cc1cccc(-c2ccc3c(c2)c2ccccc2n3-c2cccc3c2C(=O)N(c2ccc(-c4ccccc4)cc2)C3=O)n1.

What is the InChIKey of 6-[9-[1,3-dioxo-2-(4-phenylphenyl)isoindol-4-yl]carbazol-3-yl]pyridine-2-carbonitrile?

The InChIKey is XMMFVPWDKGQLKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H22N4O2/c39-23-27-10-6-13-32(40-27)26-18-21-34-31(22-26)29-11-4-5-14-33(29)42(34)35-15-7-12-30-36(35)38(44)41(37(30)43)28-19-16-25(17-20-28)24-8-2-1-3-9-24/h1-22H.

What are the key properties of 6-[9-[1,3-dioxo-2-(4-phenylphenyl)isoindol-4-yl]carbazol-3-yl]pyridine-2-carbonitrile?

6-[9-[1,3-dioxo-2-(4-phenylphenyl)isoindol-4-yl]carbazol-3-yl]pyridine-2-carbonitrile has a molecular weight of 566.62 g/mol, XLogP of 8.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[9-[1,3-dioxo-2-(4-phenylphenyl)isoindol-4-yl]carbazol-3-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 134234685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).