1-[6-[4-[2-[4-(2-fluoro-4-propylphenyl)phenyl]ethyl]phenyl]naphthalen-2-yl]pyrrole-2,5-dione

C37H30FNO2 — CID 145389647

About 1-[6-[4-[2-[4-(2-fluoro-4-propylphenyl)phenyl]ethyl]phenyl]naphthalen-2-yl]pyrrole-2,5-dione

1-[6-[4-[2-[4-(2-fluoro-4-propylphenyl)phenyl]ethyl]phenyl]naphthalen-2-yl]pyrrole-2,5-dione (PubChem CID 145389647) has the molecular formula C37H30FNO2 and a molecular weight of 539.65 g/mol. Its IUPAC name is 1-[6-[4-[2-[4-(2-fluoro-4-propylphenyl)phenyl]ethyl]phenyl]naphthalen-2-yl]pyrrole-2,5-dione.

Molecular Properties

• Compound Name: 1-[6-[4-[2-[4-(2-fluoro-4-propylphenyl)phenyl]ethyl]phenyl]naphthalen-2-yl]pyrrole-2,5-dione
• PubChem CID: 145389647
• Molecular Formula: C37H30FNO2
• Molecular Weight: 539.65 g/mol
• Exact Mass: 539.23
• IUPAC Name: 1-[6-[4-[2-[4-(2-fluoro-4-propylphenyl)phenyl]ethyl]phenyl]naphthalen-2-yl]pyrrole-2,5-dione
• SMILES: CCCc1ccc(-c2ccc(CCc3ccc(-c4ccc5cc(N6C(=O)C=CC6=O)ccc5c4)cc3)cc2)c(F)c1
• InChI: InChI=1S/C37H30FNO2/c1-2-3-27-10-19-34(35(38)22-27)29-13-8-26(9-14-29)5-4-25-6-11-28(12-7-25)30-15-16-32-24-33(18-17-31(32)23-30)39-36(40)20-21-37(39)41/h6-24H,2-5H2,1H3
• InChIKey: XTLOKLIUVFVCEB-UHFFFAOYSA-N
• XLogP: 8.48
• TPSA: 37.38 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	539.65
LogP ≤ 5	8.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[6-[4-[2-[4-(2-fluoro-4-propylphenyl)phenyl]ethyl]phenyl]naphthalen-2-yl]pyrrole-2,5-dione?

The IUPAC name of 1-[6-[4-[2-[4-(2-fluoro-4-propylphenyl)phenyl]ethyl]phenyl]naphthalen-2-yl]pyrrole-2,5-dione (CID 145389647) is 1-[6-[4-[2-[4-(2-fluoro-4-propylphenyl)phenyl]ethyl]phenyl]naphthalen-2-yl]pyrrole-2,5-dione.

What is the SMILES notation for 1-[6-[4-[2-[4-(2-fluoro-4-propylphenyl)phenyl]ethyl]phenyl]naphthalen-2-yl]pyrrole-2,5-dione?

The canonical SMILES for 1-[6-[4-[2-[4-(2-fluoro-4-propylphenyl)phenyl]ethyl]phenyl]naphthalen-2-yl]pyrrole-2,5-dione is CCCc1ccc(-c2ccc(CCc3ccc(-c4ccc5cc(N6C(=O)C=CC6=O)ccc5c4)cc3)cc2)c(F)c1.

What is the InChIKey of 1-[6-[4-[2-[4-(2-fluoro-4-propylphenyl)phenyl]ethyl]phenyl]naphthalen-2-yl]pyrrole-2,5-dione?

The InChIKey is XTLOKLIUVFVCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H30FNO2/c1-2-3-27-10-19-34(35(38)22-27)29-13-8-26(9-14-29)5-4-25-6-11-28(12-7-25)30-15-16-32-24-33(18-17-31(32)23-30)39-36(40)20-21-37(39)41/h6-24H,2-5H2,1H3.

What are the key properties of 1-[6-[4-[2-[4-(2-fluoro-4-propylphenyl)phenyl]ethyl]phenyl]naphthalen-2-yl]pyrrole-2,5-dione?

1-[6-[4-[2-[4-(2-fluoro-4-propylphenyl)phenyl]ethyl]phenyl]naphthalen-2-yl]pyrrole-2,5-dione has a molecular weight of 539.65 g/mol, XLogP of 8.48, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-[4-[2-[4-(2-fluoro-4-propylphenyl)phenyl]ethyl]phenyl]naphthalen-2-yl]pyrrole-2,5-dione is sourced from PubChem (CID 145389647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).