4-[2-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione

C40H25F3N2O2 — CID 157418592

About 4-[2-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione

4-[2-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione (PubChem CID 157418592) has the molecular formula C40H25F3N2O2 and a molecular weight of 622.65 g/mol. Its IUPAC name is 4-[2-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione.

Molecular Properties

• Compound Name: 4-[2-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione
• PubChem CID: 157418592
• Molecular Formula: C40H25F3N2O2
• Molecular Weight: 622.65 g/mol
• Exact Mass: 622.19
• IUPAC Name: 4-[2-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione
• SMILES: Cc1ccc(-c2ccc3c4ccccc4n(-c4cccc5c4C(=O)N(c4cccc(-c6ccccc6)c4)C5=O)c3c2)c(C(F)(F)F)c1
• InChI: InChI=1S/C40H25F3N2O2/c1-24-17-19-29(33(21-24)40(41,42)43)27-18-20-31-30-13-5-6-15-34(30)45(36(31)23-27)35-16-8-14-32-37(35)39(47)44(38(32)46)28-12-7-11-26(22-28)25-9-3-2-4-10-25/h2-23H,1H3
• InChIKey: KLOMGELUCBDXIQ-UHFFFAOYSA-N
• XLogP: 10.25
• TPSA: 42.31 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	622.65
LogP ≤ 5	10.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione?

The IUPAC name of 4-[2-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione (CID 157418592) is 4-[2-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione.

What is the SMILES notation for 4-[2-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione?

The canonical SMILES for 4-[2-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione is Cc1ccc(-c2ccc3c4ccccc4n(-c4cccc5c4C(=O)N(c4cccc(-c6ccccc6)c4)C5=O)c3c2)c(C(F)(F)F)c1.

What is the InChIKey of 4-[2-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione?

The InChIKey is KLOMGELUCBDXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25F3N2O2/c1-24-17-19-29(33(21-24)40(41,42)43)27-18-20-31-30-13-5-6-15-34(30)45(36(31)23-27)35-16-8-14-32-37(35)39(47)44(38(32)46)28-12-7-11-26(22-28)25-9-3-2-4-10-25/h2-23H,1H3.

What are the key properties of 4-[2-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione?

4-[2-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione has a molecular weight of 622.65 g/mol, XLogP of 10.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione is sourced from PubChem (CID 157418592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).