4-[3-fluoro-4-(3-thiophen-2-ylbenzo[f]chromen-3-yl)phenyl]morpholine

C27H22FNO2S — CID 22624730

IUPAC4-[3-fluoro-4-(3-thiophen-2-ylbenzo[f]chromen-3-yl)phenyl]morpholine
SMILESFc1cc(N2CCOCC2)ccc1C1(c2cccs2)C=Cc2c(ccc3ccccc23)O1
InChIInChI=1S/C27H22FNO2S/c28-24-18-20(29-13-15-30-16-14-29)8-9-23(24)27(26-6-3-17-32-26)12-11-22-21-5-2-1-4-19(21)7-10-25(22)31-27/h1-12,17-18H,13-16H2
InChIKeyFHNOESQONNKTQR-UHFFFAOYSA-N
MW443.54 g/mol
LogP6.23
Rot. Bonds3

About 4-[3-fluoro-4-(3-thiophen-2-ylbenzo[f]chromen-3-yl)phenyl]morpholine

4-[3-fluoro-4-(3-thiophen-2-ylbenzo[f]chromen-3-yl)phenyl]morpholine (PubChem CID 22624730) has the molecular formula C27H22FNO2S and a molecular weight of 443.54 g/mol. Its IUPAC name is 4-[3-fluoro-4-(3-thiophen-2-ylbenzo[f]chromen-3-yl)phenyl]morpholine.

Molecular Properties

Compound Name4-[3-fluoro-4-(3-thiophen-2-ylbenzo[f]chromen-3-yl)phenyl]morpholine
PubChem CID22624730
Molecular FormulaC27H22FNO2S
Molecular Weight443.54 g/mol
Exact Mass443.14
IUPAC Name4-[3-fluoro-4-(3-thiophen-2-ylbenzo[f]chromen-3-yl)phenyl]morpholine
SMILESFc1cc(N2CCOCC2)ccc1C1(c2cccs2)C=Cc2c(ccc3ccccc23)O1
InChIInChI=1S/C27H22FNO2S/c28-24-18-20(29-13-15-30-16-14-29)8-9-23(24)27(26-6-3-17-32-26)12-11-22-21-5-2-1-4-19(21)7-10-25(22)31-27/h1-12,17-18H,13-16H2
InChIKeyFHNOESQONNKTQR-UHFFFAOYSA-N
XLogP6.23
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.54
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[3-[(3R)-3-(2-fluorophenyl)-6-morpholin-4-ylbenzo[f]chromen-3-yl]phenyl]morpholine
CID 21305843
1-[4-(3-phenyl-8-piperidin-1-ylbenzo[f]chromen-3-yl)phenyl]azepane
CID 69137892
4-(2,2-diphenylchromen-6-yl)morpholine
CID 102389036
4-spiro[benzo[f]chromene-3,9'-fluorene]-6-ylmorpholine
CID 18714042
4-[4-[3-(3-fluorophenyl)-6-morpholin-4-ylbenzo[f]chromen-3-yl]phenyl]morpholine;4-[3-(4-morpholin-4-ylphenyl)-3-[4-(trifluoromethyl)phenyl]benzo[f]chromen-6-yl]morpholine
CID 159518975
2'-fluorospiro[benzo[f]chromene-3,9'-fluorene]
CID 100954914
3-(2-fluorophenyl)-3-(4-methoxyphenyl)benzo[f]chromene
CID 3104875
9,9-dimethylspiro[anthracene-10,3'-benzo[f]chromene]
CID 22084982
4-[3-(4-methylphenyl)-3-(4-piperidin-1-ylphenyl)benzo[f]chromen-6-yl]morpholine
CID 23514747
1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-benzo[f]indole]
CID 3740164
3-[4-(azepan-1-yl)phenyl]-N,N,3-triphenylbenzo[f]chromen-8-amine
CID 22277973
[5-[3-(2-fluorophenyl)benzo[f]chromen-3-yl]-2-methoxyphenyl]methanamine
CID 174396690

Frequently Asked Questions

What is the IUPAC name of 4-[3-fluoro-4-(3-thiophen-2-ylbenzo[f]chromen-3-yl)phenyl]morpholine?
The IUPAC name of 4-[3-fluoro-4-(3-thiophen-2-ylbenzo[f]chromen-3-yl)phenyl]morpholine (CID 22624730) is 4-[3-fluoro-4-(3-thiophen-2-ylbenzo[f]chromen-3-yl)phenyl]morpholine.
What is the SMILES notation for 4-[3-fluoro-4-(3-thiophen-2-ylbenzo[f]chromen-3-yl)phenyl]morpholine?
The canonical SMILES for 4-[3-fluoro-4-(3-thiophen-2-ylbenzo[f]chromen-3-yl)phenyl]morpholine is Fc1cc(N2CCOCC2)ccc1C1(c2cccs2)C=Cc2c(ccc3ccccc23)O1.
What is the InChIKey of 4-[3-fluoro-4-(3-thiophen-2-ylbenzo[f]chromen-3-yl)phenyl]morpholine?
The InChIKey is FHNOESQONNKTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22FNO2S/c28-24-18-20(29-13-15-30-16-14-29)8-9-23(24)27(26-6-3-17-32-26)12-11-22-21-5-2-1-4-19(21)7-10-25(22)31-27/h1-12,17-18H,13-16H2.
What are the key properties of 4-[3-fluoro-4-(3-thiophen-2-ylbenzo[f]chromen-3-yl)phenyl]morpholine?
4-[3-fluoro-4-(3-thiophen-2-ylbenzo[f]chromen-3-yl)phenyl]morpholine has a molecular weight of 443.54 g/mol, XLogP of 6.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-fluoro-4-(3-thiophen-2-ylbenzo[f]chromen-3-yl)phenyl]morpholine is sourced from PubChem (CID 22624730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).