4-[8-(4-cyanophenyl)-9-[2-(3,5-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-1-yl]benzonitrile;ethane

C56H42N4O2 — CID 142280762

About 4-[8-(4-cyanophenyl)-9-[2-(3,5-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-1-yl]benzonitrile;ethane

4-[8-(4-cyanophenyl)-9-[2-(3,5-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-1-yl]benzonitrile;ethane (PubChem CID 142280762) has the molecular formula C56H42N4O2 and a molecular weight of 802.98 g/mol. Its IUPAC name is 4-[8-(4-cyanophenyl)-9-[2-(3,5-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-1-yl]benzonitrile;ethane.

Molecular Properties

• Compound Name: 4-[8-(4-cyanophenyl)-9-[2-(3,5-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-1-yl]benzonitrile;ethane
• PubChem CID: 142280762
• Molecular Formula: C56H42N4O2
• Molecular Weight: 802.98 g/mol
• Exact Mass: 802.33
• IUPAC Name: 4-[8-(4-cyanophenyl)-9-[2-(3,5-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-1-yl]benzonitrile;ethane
• SMILES: CC.CC.N#Cc1ccc(-c2cccc3c4cccc(-c5ccc(C#N)cc5)c4n(-c4cccc5c4C(=O)N(c4cc(-c6ccccc6)cc(-c6ccccc6)c4)C5=O)c23)cc1
• InChI: InChI=1S/C52H30N4O2.2C2H6/c53-31-33-20-24-37(25-21-33)42-14-7-16-44-45-17-8-15-43(38-26-22-34(32-54)23-27-38)50(45)56(49(42)44)47-19-9-18-46-48(47)52(58)55(51(46)57)41-29-39(35-10-3-1-4-11-35)28-40(30-41)36-12-5-2-6-13-36;2*1-2/h1-30H;2*1-2H3
• InChIKey: MKNCUBJXLRQKFC-UHFFFAOYSA-N
• XLogP: 14.05
• TPSA: 89.89 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	802.98
LogP ≤ 5	14.05
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 4-[8-(4-cyanophenyl)-9-[2-(3,5-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-1-yl]benzonitrile;ethane?

The IUPAC name of 4-[8-(4-cyanophenyl)-9-[2-(3,5-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-1-yl]benzonitrile;ethane (CID 142280762) is 4-[8-(4-cyanophenyl)-9-[2-(3,5-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-1-yl]benzonitrile;ethane.

What is the SMILES notation for 4-[8-(4-cyanophenyl)-9-[2-(3,5-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-1-yl]benzonitrile;ethane?

The canonical SMILES for 4-[8-(4-cyanophenyl)-9-[2-(3,5-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-1-yl]benzonitrile;ethane is CC.CC.N#Cc1ccc(-c2cccc3c4cccc(-c5ccc(C#N)cc5)c4n(-c4cccc5c4C(=O)N(c4cc(-c6ccccc6)cc(-c6ccccc6)c4)C5=O)c23)cc1.

What is the InChIKey of 4-[8-(4-cyanophenyl)-9-[2-(3,5-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-1-yl]benzonitrile;ethane?

The InChIKey is MKNCUBJXLRQKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H30N4O2.2C2H6/c53-31-33-20-24-37(25-21-33)42-14-7-16-44-45-17-8-15-43(38-26-22-34(32-54)23-27-38)50(45)56(49(42)44)47-19-9-18-46-48(47)52(58)55(51(46)57)41-29-39(35-10-3-1-4-11-35)28-40(30-41)36-12-5-2-6-13-36;2*1-2/h1-30H;2*1-2H3.

What are the key properties of 4-[8-(4-cyanophenyl)-9-[2-(3,5-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-1-yl]benzonitrile;ethane?

4-[8-(4-cyanophenyl)-9-[2-(3,5-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-1-yl]benzonitrile;ethane has a molecular weight of 802.98 g/mol, XLogP of 14.05, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[8-(4-cyanophenyl)-9-[2-(3,5-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-1-yl]benzonitrile;ethane is sourced from PubChem (CID 142280762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).