4-[3-(4-carbazol-9-ylphenyl)-3-[2-fluoro-4-(trifluoromethyl)phenyl]-8-methoxybenzo[f]chromen-6-yl]morpholine

C43H32F4N2O3 — CID 15509213

About 4-[3-(4-carbazol-9-ylphenyl)-3-[2-fluoro-4-(trifluoromethyl)phenyl]-8-methoxybenzo[f]chromen-6-yl]morpholine

4-[3-(4-carbazol-9-ylphenyl)-3-[2-fluoro-4-(trifluoromethyl)phenyl]-8-methoxybenzo[f]chromen-6-yl]morpholine (PubChem CID 15509213) has the molecular formula C43H32F4N2O3 and a molecular weight of 700.73 g/mol. Its IUPAC name is 4-[3-(4-carbazol-9-ylphenyl)-3-[2-fluoro-4-(trifluoromethyl)phenyl]-8-methoxybenzo[f]chromen-6-yl]morpholine.

Molecular Properties

• Compound Name: 4-[3-(4-carbazol-9-ylphenyl)-3-[2-fluoro-4-(trifluoromethyl)phenyl]-8-methoxybenzo[f]chromen-6-yl]morpholine
• PubChem CID: 15509213
• Molecular Formula: C43H32F4N2O3
• Molecular Weight: 700.73 g/mol
• Exact Mass: 700.23
• IUPAC Name: 4-[3-(4-carbazol-9-ylphenyl)-3-[2-fluoro-4-(trifluoromethyl)phenyl]-8-methoxybenzo[f]chromen-6-yl]morpholine
• SMILES: COc1ccc2c3c(cc(N4CCOCC4)c2c1)OC(c1ccc(-n2c4ccccc4c4ccccc42)cc1)(c1ccc(C(F)(F)F)cc1F)C=C3
• InChI: InChI=1S/C43H32F4N2O3/c1-50-30-15-16-31-34-18-19-42(36-17-12-28(24-37(36)44)43(45,46)47,52-41(34)26-40(35(31)25-30)48-20-22-51-23-21-48)27-10-13-29(14-11-27)49-38-8-4-2-6-32(38)33-7-3-5-9-39(33)49/h2-19,24-26H,20-23H2,1H3
• InChIKey: CHFUVFFHOLLSGK-UHFFFAOYSA-N
• XLogP: 10.29
• TPSA: 35.86 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	700.73
LogP ≤ 5	10.29
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'}

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-carbazol-9-ylphenyl)-3-[2-fluoro-4-(trifluoromethyl)phenyl]-8-methoxybenzo[f]chromen-6-yl]morpholine?

The IUPAC name of 4-[3-(4-carbazol-9-ylphenyl)-3-[2-fluoro-4-(trifluoromethyl)phenyl]-8-methoxybenzo[f]chromen-6-yl]morpholine (CID 15509213) is 4-[3-(4-carbazol-9-ylphenyl)-3-[2-fluoro-4-(trifluoromethyl)phenyl]-8-methoxybenzo[f]chromen-6-yl]morpholine.

What is the SMILES notation for 4-[3-(4-carbazol-9-ylphenyl)-3-[2-fluoro-4-(trifluoromethyl)phenyl]-8-methoxybenzo[f]chromen-6-yl]morpholine?

The canonical SMILES for 4-[3-(4-carbazol-9-ylphenyl)-3-[2-fluoro-4-(trifluoromethyl)phenyl]-8-methoxybenzo[f]chromen-6-yl]morpholine is COc1ccc2c3c(cc(N4CCOCC4)c2c1)OC(c1ccc(-n2c4ccccc4c4ccccc42)cc1)(c1ccc(C(F)(F)F)cc1F)C=C3.

What is the InChIKey of 4-[3-(4-carbazol-9-ylphenyl)-3-[2-fluoro-4-(trifluoromethyl)phenyl]-8-methoxybenzo[f]chromen-6-yl]morpholine?

The InChIKey is CHFUVFFHOLLSGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H32F4N2O3/c1-50-30-15-16-31-34-18-19-42(36-17-12-28(24-37(36)44)43(45,46)47,52-41(34)26-40(35(31)25-30)48-20-22-51-23-21-48)27-10-13-29(14-11-27)49-38-8-4-2-6-32(38)33-7-3-5-9-39(33)49/h2-19,24-26H,20-23H2,1H3.

What are the key properties of 4-[3-(4-carbazol-9-ylphenyl)-3-[2-fluoro-4-(trifluoromethyl)phenyl]-8-methoxybenzo[f]chromen-6-yl]morpholine?

4-[3-(4-carbazol-9-ylphenyl)-3-[2-fluoro-4-(trifluoromethyl)phenyl]-8-methoxybenzo[f]chromen-6-yl]morpholine has a molecular weight of 700.73 g/mol, XLogP of 10.29, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-(4-carbazol-9-ylphenyl)-3-[2-fluoro-4-(trifluoromethyl)phenyl]-8-methoxybenzo[f]chromen-6-yl]morpholine is sourced from PubChem (CID 15509213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).