4-[4-[3-(2,3-dihydrothiophen-5-yl)benzo[f]chromen-3-yl]-3-fluorophenyl]morpholine

C27H24FNO2S — CID 18714043

IUPAC4-[4-[3-(2,3-dihydrothiophen-5-yl)benzo[f]chromen-3-yl]-3-fluorophenyl]morpholine
SMILESFc1cc(N2CCOCC2)ccc1C1(C2=CCCS2)C=Cc2c(ccc3ccccc23)O1
InChIInChI=1S/C27H24FNO2S/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/h1-2,4-12,18H,3,13-17H2
InChIKeyVWPKSXFHGZBLDZ-UHFFFAOYSA-N
MW445.56 g/mol
LogP6.14
Rot. Bonds3

About 4-[4-[3-(2,3-dihydrothiophen-5-yl)benzo[f]chromen-3-yl]-3-fluorophenyl]morpholine

4-[4-[3-(2,3-dihydrothiophen-5-yl)benzo[f]chromen-3-yl]-3-fluorophenyl]morpholine (PubChem CID 18714043) has the molecular formula C27H24FNO2S and a molecular weight of 445.56 g/mol. Its IUPAC name is 4-[4-[3-(2,3-dihydrothiophen-5-yl)benzo[f]chromen-3-yl]-3-fluorophenyl]morpholine.

Molecular Properties

Compound Name4-[4-[3-(2,3-dihydrothiophen-5-yl)benzo[f]chromen-3-yl]-3-fluorophenyl]morpholine
PubChem CID18714043
Molecular FormulaC27H24FNO2S
Molecular Weight445.56 g/mol
Exact Mass445.15
IUPAC Name4-[4-[3-(2,3-dihydrothiophen-5-yl)benzo[f]chromen-3-yl]-3-fluorophenyl]morpholine
SMILESFc1cc(N2CCOCC2)ccc1C1(C2=CCCS2)C=Cc2c(ccc3ccccc23)O1
InChIInChI=1S/C27H24FNO2S/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/h1-2,4-12,18H,3,13-17H2
InChIKeyVWPKSXFHGZBLDZ-UHFFFAOYSA-N
XLogP6.14
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.56
LogP ≤ 56.14
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

(2S,3R)-8-morpholin-4-yl-3-(2,4,5-trifluorophenyl)-2,3-dihydro-1H-benzo[f]chromen-2-amine
CID 130391940
8-morpholin-4-yl-3-(2,4,5-trifluorophenyl)-2,3-dihydro-1H-benzo[f]chromen-2-amine
CID 130392115
6-Morpholino-3-(4-morpholinophenyl)-3-phenyl-3h-naphtho[2,1-b]pyran
CID 9806148
4-(3,3-Diphenylbenzo[f]chromen-6-yl)morpholine
CID 22590674
4-[3-(4-Methoxyphenyl)-3-[4-(trifluoromethoxy)phenyl]benzo[f]chromen-6-yl]morpholine
CID 11027863
2-(4-fluorophenyl)-6-methoxy-1-[[3-methyl-4-(2-piperidin-1-ylethoxy)phenyl]methyl]-3,4-dihydro-1H-isoquinoline
CID 12069660
2-(4-fluorophenyl)-1-[[4-(2-thiomorpholin-4-ylethoxy)phenyl]methyl]-3,4-dihydro-1H-isoquinolin-6-ol
CID 12069669
2-(4-fluorophenyl)-1-[[4-[2-(1,3-thiazolidin-3-yl)ethoxy]phenyl]methyl]-3,4-dihydro-1H-isoquinolin-6-ol
CID 12069674
4-[4-[3-(3-Fluorophenyl)-6-morpholin-4-ylbenzo[f]chromen-3-yl]phenyl]morpholine
CID 12081011
4-[3-(4-Morpholin-4-ylphenyl)-3-[3-(trifluoromethyl)phenyl]benzo[f]chromen-6-yl]morpholine
CID 12081012
4-[4-[3-(3,5-Difluorophenyl)-6-morpholin-4-ylbenzo[f]chromen-3-yl]phenyl]morpholine
CID 12081014
4-[3-(3-fluorophenyl)-6-morpholin-4-ylbenzo[f]chromen-3-yl]-N,N-diphenylaniline
CID 12081016

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-(2,3-dihydrothiophen-5-yl)benzo[f]chromen-3-yl]-3-fluorophenyl]morpholine?
The IUPAC name of 4-[4-[3-(2,3-dihydrothiophen-5-yl)benzo[f]chromen-3-yl]-3-fluorophenyl]morpholine (CID 18714043) is 4-[4-[3-(2,3-dihydrothiophen-5-yl)benzo[f]chromen-3-yl]-3-fluorophenyl]morpholine.
What is the SMILES notation for 4-[4-[3-(2,3-dihydrothiophen-5-yl)benzo[f]chromen-3-yl]-3-fluorophenyl]morpholine?
The canonical SMILES for 4-[4-[3-(2,3-dihydrothiophen-5-yl)benzo[f]chromen-3-yl]-3-fluorophenyl]morpholine is Fc1cc(N2CCOCC2)ccc1C1(C2=CCCS2)C=Cc2c(ccc3ccccc23)O1.
What is the InChIKey of 4-[4-[3-(2,3-dihydrothiophen-5-yl)benzo[f]chromen-3-yl]-3-fluorophenyl]morpholine?
The InChIKey is VWPKSXFHGZBLDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FNO2S/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/h1-2,4-12,18H,3,13-17H2.
What are the key properties of 4-[4-[3-(2,3-dihydrothiophen-5-yl)benzo[f]chromen-3-yl]-3-fluorophenyl]morpholine?
4-[4-[3-(2,3-dihydrothiophen-5-yl)benzo[f]chromen-3-yl]-3-fluorophenyl]morpholine has a molecular weight of 445.56 g/mol, XLogP of 6.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-(2,3-dihydrothiophen-5-yl)benzo[f]chromen-3-yl]-3-fluorophenyl]morpholine is sourced from PubChem (CID 18714043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).