6-[9-[2-(2,6-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-3-yl]pyridine-2-carbonitrile

C44H26N4O2 — CID 134235079

About 6-[9-[2-(2,6-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-3-yl]pyridine-2-carbonitrile

6-[9-[2-(2,6-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-3-yl]pyridine-2-carbonitrile (PubChem CID 134235079) has the molecular formula C44H26N4O2 and a molecular weight of 642.72 g/mol. Its IUPAC name is 6-[9-[2-(2,6-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-3-yl]pyridine-2-carbonitrile.

Molecular Properties

• Compound Name: 6-[9-[2-(2,6-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-3-yl]pyridine-2-carbonitrile
• PubChem CID: 134235079
• Molecular Formula: C44H26N4O2
• Molecular Weight: 642.72 g/mol
• Exact Mass: 642.21
• IUPAC Name: 6-[9-[2-(2,6-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-3-yl]pyridine-2-carbonitrile
• SMILES: N#Cc1cccc(-c2ccc3c(c2)c2ccccc2n3-c2cccc3c2C(=O)N(c2c(-c4ccccc4)cccc2-c2ccccc2)C3=O)n1
• InChI: InChI=1S/C44H26N4O2/c45-27-31-16-9-21-37(46-31)30-24-25-39-36(26-30)34-17-7-8-22-38(34)47(39)40-23-11-20-35-41(40)44(50)48(43(35)49)42-32(28-12-3-1-4-13-28)18-10-19-33(42)29-14-5-2-6-15-29/h1-26H
• InChIKey: DOYLFUAVZDJKHE-UHFFFAOYSA-N
• XLogP: 9.85
• TPSA: 78.99 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	642.72
LogP ≤ 5	9.85
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-[2-(2,6-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-3-yl]pyridine-2-carbonitrile?

The IUPAC name of 6-[9-[2-(2,6-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-3-yl]pyridine-2-carbonitrile (CID 134235079) is 6-[9-[2-(2,6-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-3-yl]pyridine-2-carbonitrile.

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

The canonical SMILES for 6-[9-[2-(2,6-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-3-yl]pyridine-2-carbonitrile is N#Cc1cccc(-c2ccc3c(c2)c2ccccc2n3-c2cccc3c2C(=O)N(c2c(-c4ccccc4)cccc2-c2ccccc2)C3=O)n1.

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

The InChIKey is DOYLFUAVZDJKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N4O2/c45-27-31-16-9-21-37(46-31)30-24-25-39-36(26-30)34-17-7-8-22-38(34)47(39)40-23-11-20-35-41(40)44(50)48(43(35)49)42-32(28-12-3-1-4-13-28)18-10-19-33(42)29-14-5-2-6-15-29/h1-26H.

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

6-[9-[2-(2,6-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-3-yl]pyridine-2-carbonitrile has a molecular weight of 642.72 g/mol, XLogP of 9.85, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[9-[2-(2,6-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-3-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 134235079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).