4-[4-[3-(3-fluoro-4-methylphenyl)-6-morpholin-4-ylbenzo[f]chromen-3-yl]phenyl]morpholine

C34H33FN2O3 — CID 22973609

About 4-[4-[3-(3-fluoro-4-methylphenyl)-6-morpholin-4-ylbenzo[f]chromen-3-yl]phenyl]morpholine

4-[4-[3-(3-fluoro-4-methylphenyl)-6-morpholin-4-ylbenzo[f]chromen-3-yl]phenyl]morpholine (PubChem CID 22973609) has the molecular formula C34H33FN2O3 and a molecular weight of 536.65 g/mol. Its IUPAC name is 4-[4-[3-(3-fluoro-4-methylphenyl)-6-morpholin-4-ylbenzo[f]chromen-3-yl]phenyl]morpholine.

Molecular Properties

• Compound Name: 4-[4-[3-(3-fluoro-4-methylphenyl)-6-morpholin-4-ylbenzo[f]chromen-3-yl]phenyl]morpholine
• PubChem CID: 22973609
• Molecular Formula: C34H33FN2O3
• Molecular Weight: 536.65 g/mol
• Exact Mass: 536.25
• IUPAC Name: 4-[4-[3-(3-fluoro-4-methylphenyl)-6-morpholin-4-ylbenzo[f]chromen-3-yl]phenyl]morpholine
• SMILES: Cc1ccc(C2(c3ccc(N4CCOCC4)cc3)C=Cc3c(cc(N4CCOCC4)c4ccccc34)O2)cc1F
• InChI: InChI=1S/C34H33FN2O3/c1-24-6-7-26(22-31(24)35)34(25-8-10-27(11-9-25)36-14-18-38-19-15-36)13-12-30-28-4-2-3-5-29(28)32(23-33(30)40-34)37-16-20-39-21-17-37/h2-13,22-23H,14-21H2,1H3
• InChIKey: HWTXMHYOPYPQMJ-UHFFFAOYSA-N
• XLogP: 6.31
• TPSA: 34.17 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	536.65
LogP ≤ 5	6.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-(3-fluoro-4-methylphenyl)-6-morpholin-4-ylbenzo[f]chromen-3-yl]phenyl]morpholine?

The IUPAC name of 4-[4-[3-(3-fluoro-4-methylphenyl)-6-morpholin-4-ylbenzo[f]chromen-3-yl]phenyl]morpholine (CID 22973609) is 4-[4-[3-(3-fluoro-4-methylphenyl)-6-morpholin-4-ylbenzo[f]chromen-3-yl]phenyl]morpholine.

What is the SMILES notation for 4-[4-[3-(3-fluoro-4-methylphenyl)-6-morpholin-4-ylbenzo[f]chromen-3-yl]phenyl]morpholine?

The canonical SMILES for 4-[4-[3-(3-fluoro-4-methylphenyl)-6-morpholin-4-ylbenzo[f]chromen-3-yl]phenyl]morpholine is Cc1ccc(C2(c3ccc(N4CCOCC4)cc3)C=Cc3c(cc(N4CCOCC4)c4ccccc34)O2)cc1F.

What is the InChIKey of 4-[4-[3-(3-fluoro-4-methylphenyl)-6-morpholin-4-ylbenzo[f]chromen-3-yl]phenyl]morpholine?

The InChIKey is HWTXMHYOPYPQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33FN2O3/c1-24-6-7-26(22-31(24)35)34(25-8-10-27(11-9-25)36-14-18-38-19-15-36)13-12-30-28-4-2-3-5-29(28)32(23-33(30)40-34)37-16-20-39-21-17-37/h2-13,22-23H,14-21H2,1H3.

What are the key properties of 4-[4-[3-(3-fluoro-4-methylphenyl)-6-morpholin-4-ylbenzo[f]chromen-3-yl]phenyl]morpholine?

4-[4-[3-(3-fluoro-4-methylphenyl)-6-morpholin-4-ylbenzo[f]chromen-3-yl]phenyl]morpholine has a molecular weight of 536.65 g/mol, XLogP of 6.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[3-(3-fluoro-4-methylphenyl)-6-morpholin-4-ylbenzo[f]chromen-3-yl]phenyl]morpholine is sourced from PubChem (CID 22973609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).