4-[4-[3-(3-fluorophenyl)-6-morpholin-4-yl-3H-benzo[f]chromen-2-yl]phenyl]morpholine

C33H31FN2O3 — CID 58184614

IUPAC4-[4-[3-(3-fluorophenyl)-6-morpholin-4-yl-3H-benzo[f]chromen-2-yl]phenyl]morpholine
SMILESFc1cccc(C2Oc3cc(N4CCOCC4)c4ccccc4c3C=C2c2ccc(N3CCOCC3)cc2)c1
InChIInChI=1S/C33H31FN2O3/c34-25-5-3-4-24(20-25)33-29(23-8-10-26(11-9-23)35-12-16-37-17-13-35)21-30-27-6-1-2-7-28(27)31(22-32(30)39-33)36-14-18-38-19-15-36/h1-11,20-22,33H,12-19H2
InChIKeyWTMGXKQVGMGNEL-UHFFFAOYSA-N
MW522.62 g/mol
LogP6.33
Rot. Bonds4

About 4-[4-[3-(3-fluorophenyl)-6-morpholin-4-yl-3H-benzo[f]chromen-2-yl]phenyl]morpholine

4-[4-[3-(3-fluorophenyl)-6-morpholin-4-yl-3H-benzo[f]chromen-2-yl]phenyl]morpholine (PubChem CID 58184614) has the molecular formula C33H31FN2O3 and a molecular weight of 522.62 g/mol. Its IUPAC name is 4-[4-[3-(3-fluorophenyl)-6-morpholin-4-yl-3H-benzo[f]chromen-2-yl]phenyl]morpholine.

Molecular Properties

Compound Name4-[4-[3-(3-fluorophenyl)-6-morpholin-4-yl-3H-benzo[f]chromen-2-yl]phenyl]morpholine
PubChem CID58184614
Molecular FormulaC33H31FN2O3
Molecular Weight522.62 g/mol
Exact Mass522.23
IUPAC Name4-[4-[3-(3-fluorophenyl)-6-morpholin-4-yl-3H-benzo[f]chromen-2-yl]phenyl]morpholine
SMILESFc1cccc(C2Oc3cc(N4CCOCC4)c4ccccc4c3C=C2c2ccc(N3CCOCC3)cc2)c1
InChIInChI=1S/C33H31FN2O3/c34-25-5-3-4-24(20-25)33-29(23-8-10-26(11-9-23)35-12-16-37-17-13-35)21-30-27-6-1-2-7-28(27)31(22-32(30)39-33)36-14-18-38-19-15-36/h1-11,20-22,33H,12-19H2
InChIKeyWTMGXKQVGMGNEL-UHFFFAOYSA-N
XLogP6.33
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.62
LogP ≤ 56.33
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': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-(3-fluorophenyl)-6-morpholin-4-yl-3H-benzo[f]chromen-2-yl]phenyl]morpholine?
The IUPAC name of 4-[4-[3-(3-fluorophenyl)-6-morpholin-4-yl-3H-benzo[f]chromen-2-yl]phenyl]morpholine (CID 58184614) is 4-[4-[3-(3-fluorophenyl)-6-morpholin-4-yl-3H-benzo[f]chromen-2-yl]phenyl]morpholine.
What is the SMILES notation for 4-[4-[3-(3-fluorophenyl)-6-morpholin-4-yl-3H-benzo[f]chromen-2-yl]phenyl]morpholine?
The canonical SMILES for 4-[4-[3-(3-fluorophenyl)-6-morpholin-4-yl-3H-benzo[f]chromen-2-yl]phenyl]morpholine is Fc1cccc(C2Oc3cc(N4CCOCC4)c4ccccc4c3C=C2c2ccc(N3CCOCC3)cc2)c1.
What is the InChIKey of 4-[4-[3-(3-fluorophenyl)-6-morpholin-4-yl-3H-benzo[f]chromen-2-yl]phenyl]morpholine?
The InChIKey is WTMGXKQVGMGNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31FN2O3/c34-25-5-3-4-24(20-25)33-29(23-8-10-26(11-9-23)35-12-16-37-17-13-35)21-30-27-6-1-2-7-28(27)31(22-32(30)39-33)36-14-18-38-19-15-36/h1-11,20-22,33H,12-19H2.
What are the key properties of 4-[4-[3-(3-fluorophenyl)-6-morpholin-4-yl-3H-benzo[f]chromen-2-yl]phenyl]morpholine?
4-[4-[3-(3-fluorophenyl)-6-morpholin-4-yl-3H-benzo[f]chromen-2-yl]phenyl]morpholine has a molecular weight of 522.62 g/mol, XLogP of 6.33, 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-fluorophenyl)-6-morpholin-4-yl-3H-benzo[f]chromen-2-yl]phenyl]morpholine is sourced from PubChem (CID 58184614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).