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

C37H30FNO2 — CID 145389647

IUPAC1-[6-[4-[2-[4-(2-fluoro-4-propylphenyl)phenyl]ethyl]phenyl]naphthalen-2-yl]pyrrole-2,5-dione
SMILESCCCc1ccc(-c2ccc(CCc3ccc(-c4ccc5cc(N6C(=O)C=CC6=O)ccc5c4)cc3)cc2)c(F)c1
InChIInChI=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
InChIKeyXTLOKLIUVFVCEB-UHFFFAOYSA-N
MW539.65 g/mol
LogP8.48
Rot. Bonds8

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 Name1-[6-[4-[2-[4-(2-fluoro-4-propylphenyl)phenyl]ethyl]phenyl]naphthalen-2-yl]pyrrole-2,5-dione
PubChem CID145389647
Molecular FormulaC37H30FNO2
Molecular Weight539.65 g/mol
Exact Mass539.23
IUPAC Name1-[6-[4-[2-[4-(2-fluoro-4-propylphenyl)phenyl]ethyl]phenyl]naphthalen-2-yl]pyrrole-2,5-dione
SMILESCCCc1ccc(-c2ccc(CCc3ccc(-c4ccc5cc(N6C(=O)C=CC6=O)ccc5c4)cc3)cc2)c(F)c1
InChIInChI=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
InChIKeyXTLOKLIUVFVCEB-UHFFFAOYSA-N
XLogP8.48
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.65
LogP ≤ 58.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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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).