4-[3-(4-morpholin-4-ylphenyl)-3-[4-(trifluoromethyl)phenyl]benzo[f]chromen-6-yl]morpholine

C34H31F3N2O3 — CID 15509201

IUPAC4-[3-(4-morpholin-4-ylphenyl)-3-[4-(trifluoromethyl)phenyl]benzo[f]chromen-6-yl]morpholine
SMILESFC(F)(F)c1ccc(C2(c3ccc(N4CCOCC4)cc3)C=Cc3c(cc(N4CCOCC4)c4ccccc34)O2)cc1
InChIInChI=1S/C34H31F3N2O3/c35-34(36,37)26-7-5-24(6-8-26)33(25-9-11-27(12-10-25)38-15-19-40-20-16-38)14-13-30-28-3-1-2-4-29(28)31(23-32(30)42-33)39-17-21-41-22-18-39/h1-14,23H,15-22H2
InChIKeyVMLLJHJOSUOYCU-UHFFFAOYSA-N
MW572.63 g/mol
LogP6.88
Rot. Bonds4

About 4-[3-(4-morpholin-4-ylphenyl)-3-[4-(trifluoromethyl)phenyl]benzo[f]chromen-6-yl]morpholine

4-[3-(4-morpholin-4-ylphenyl)-3-[4-(trifluoromethyl)phenyl]benzo[f]chromen-6-yl]morpholine (PubChem CID 15509201) has the molecular formula C34H31F3N2O3 and a molecular weight of 572.63 g/mol. Its IUPAC name is 4-[3-(4-morpholin-4-ylphenyl)-3-[4-(trifluoromethyl)phenyl]benzo[f]chromen-6-yl]morpholine.

Molecular Properties

Compound Name4-[3-(4-morpholin-4-ylphenyl)-3-[4-(trifluoromethyl)phenyl]benzo[f]chromen-6-yl]morpholine
PubChem CID15509201
Molecular FormulaC34H31F3N2O3
Molecular Weight572.63 g/mol
Exact Mass572.23
IUPAC Name4-[3-(4-morpholin-4-ylphenyl)-3-[4-(trifluoromethyl)phenyl]benzo[f]chromen-6-yl]morpholine
SMILESFC(F)(F)c1ccc(C2(c3ccc(N4CCOCC4)cc3)C=Cc3c(cc(N4CCOCC4)c4ccccc34)O2)cc1
InChIInChI=1S/C34H31F3N2O3/c35-34(36,37)26-7-5-24(6-8-26)33(25-9-11-27(12-10-25)38-15-19-40-20-16-38)14-13-30-28-3-1-2-4-29(28)31(23-32(30)42-33)39-17-21-41-22-18-39/h1-14,23H,15-22H2
InChIKeyVMLLJHJOSUOYCU-UHFFFAOYSA-N
XLogP6.88
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.63
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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'}

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-morpholin-4-ylphenyl)-3-[4-(trifluoromethyl)phenyl]benzo[f]chromen-6-yl]morpholine?
The IUPAC name of 4-[3-(4-morpholin-4-ylphenyl)-3-[4-(trifluoromethyl)phenyl]benzo[f]chromen-6-yl]morpholine (CID 15509201) is 4-[3-(4-morpholin-4-ylphenyl)-3-[4-(trifluoromethyl)phenyl]benzo[f]chromen-6-yl]morpholine.
What is the SMILES notation for 4-[3-(4-morpholin-4-ylphenyl)-3-[4-(trifluoromethyl)phenyl]benzo[f]chromen-6-yl]morpholine?
The canonical SMILES for 4-[3-(4-morpholin-4-ylphenyl)-3-[4-(trifluoromethyl)phenyl]benzo[f]chromen-6-yl]morpholine is FC(F)(F)c1ccc(C2(c3ccc(N4CCOCC4)cc3)C=Cc3c(cc(N4CCOCC4)c4ccccc34)O2)cc1.
What is the InChIKey of 4-[3-(4-morpholin-4-ylphenyl)-3-[4-(trifluoromethyl)phenyl]benzo[f]chromen-6-yl]morpholine?
The InChIKey is VMLLJHJOSUOYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H31F3N2O3/c35-34(36,37)26-7-5-24(6-8-26)33(25-9-11-27(12-10-25)38-15-19-40-20-16-38)14-13-30-28-3-1-2-4-29(28)31(23-32(30)42-33)39-17-21-41-22-18-39/h1-14,23H,15-22H2.
What are the key properties of 4-[3-(4-morpholin-4-ylphenyl)-3-[4-(trifluoromethyl)phenyl]benzo[f]chromen-6-yl]morpholine?
4-[3-(4-morpholin-4-ylphenyl)-3-[4-(trifluoromethyl)phenyl]benzo[f]chromen-6-yl]morpholine has a molecular weight of 572.63 g/mol, XLogP of 6.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-morpholin-4-ylphenyl)-3-[4-(trifluoromethyl)phenyl]benzo[f]chromen-6-yl]morpholine is sourced from PubChem (CID 15509201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).