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

C33H31FN2O3 — CID 15509203

IUPAC4-[3-[3-(2-fluorophenyl)-6-morpholin-4-ylbenzo[f]chromen-3-yl]phenyl]morpholine
SMILESFc1ccccc1C1(c2cccc(N3CCOCC3)c2)C=Cc2c(cc(N3CCOCC3)c3ccccc23)O1
InChIInChI=1S/C33H31FN2O3/c34-30-11-4-3-10-29(30)33(24-6-5-7-25(22-24)35-14-18-37-19-15-35)13-12-28-26-8-1-2-9-27(26)31(23-32(28)39-33)36-16-20-38-21-17-36/h1-13,22-23H,14-21H2
InChIKeyONJLZDBDSFGKQT-UHFFFAOYSA-N
MW522.62 g/mol
LogP6.00
Rot. Bonds4

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

4-[3-[3-(2-fluorophenyl)-6-morpholin-4-ylbenzo[f]chromen-3-yl]phenyl]morpholine (PubChem CID 15509203) has the molecular formula C33H31FN2O3 and a molecular weight of 522.62 g/mol. Its IUPAC name is 4-[3-[3-(2-fluorophenyl)-6-morpholin-4-ylbenzo[f]chromen-3-yl]phenyl]morpholine.

Molecular Properties

Compound Name4-[3-[3-(2-fluorophenyl)-6-morpholin-4-ylbenzo[f]chromen-3-yl]phenyl]morpholine
PubChem CID15509203
Molecular FormulaC33H31FN2O3
Molecular Weight522.62 g/mol
Exact Mass522.23
IUPAC Name4-[3-[3-(2-fluorophenyl)-6-morpholin-4-ylbenzo[f]chromen-3-yl]phenyl]morpholine
SMILESFc1ccccc1C1(c2cccc(N3CCOCC3)c2)C=Cc2c(cc(N3CCOCC3)c3ccccc23)O1
InChIInChI=1S/C33H31FN2O3/c34-30-11-4-3-10-29(30)33(24-6-5-7-25(22-24)35-14-18-37-19-15-35)13-12-28-26-8-1-2-9-27(26)31(23-32(28)39-33)36-16-20-38-21-17-36/h1-13,22-23H,14-21H2
InChIKeyONJLZDBDSFGKQT-UHFFFAOYSA-N
XLogP6.00
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 ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-(2-fluorophenyl)-6-morpholin-4-ylbenzo[f]chromen-3-yl]phenyl]morpholine?
The IUPAC name of 4-[3-[3-(2-fluorophenyl)-6-morpholin-4-ylbenzo[f]chromen-3-yl]phenyl]morpholine (CID 15509203) is 4-[3-[3-(2-fluorophenyl)-6-morpholin-4-ylbenzo[f]chromen-3-yl]phenyl]morpholine.
What is the SMILES notation for 4-[3-[3-(2-fluorophenyl)-6-morpholin-4-ylbenzo[f]chromen-3-yl]phenyl]morpholine?
The canonical SMILES for 4-[3-[3-(2-fluorophenyl)-6-morpholin-4-ylbenzo[f]chromen-3-yl]phenyl]morpholine is Fc1ccccc1C1(c2cccc(N3CCOCC3)c2)C=Cc2c(cc(N3CCOCC3)c3ccccc23)O1.
What is the InChIKey of 4-[3-[3-(2-fluorophenyl)-6-morpholin-4-ylbenzo[f]chromen-3-yl]phenyl]morpholine?
The InChIKey is ONJLZDBDSFGKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31FN2O3/c34-30-11-4-3-10-29(30)33(24-6-5-7-25(22-24)35-14-18-37-19-15-35)13-12-28-26-8-1-2-9-27(26)31(23-32(28)39-33)36-16-20-38-21-17-36/h1-13,22-23H,14-21H2.
What are the key properties of 4-[3-[3-(2-fluorophenyl)-6-morpholin-4-ylbenzo[f]chromen-3-yl]phenyl]morpholine?
4-[3-[3-(2-fluorophenyl)-6-morpholin-4-ylbenzo[f]chromen-3-yl]phenyl]morpholine has a molecular weight of 522.62 g/mol, XLogP of 6.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-(2-fluorophenyl)-6-morpholin-4-ylbenzo[f]chromen-3-yl]phenyl]morpholine is sourced from PubChem (CID 15509203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).