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

C67H62F4N4O6 — CID 159518975

IUPAC4-[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
SMILESFC(F)(F)c1ccc(C2(c3ccc(N4CCOCC4)cc3)C=Cc3c(cc(N4CCOCC4)c4ccccc34)O2)cc1.Fc1cccc(C2(c3ccc(N4CCOCC4)cc3)C=Cc3c(cc(N4CCOCC4)c4ccccc34)O2)c1
InChIInChI=1S/C34H31F3N2O3.C33H31FN2O3/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;34-26-5-3-4-25(22-26)33(24-8-10-27(11-9-24)35-14-18-37-19-15-35)13-12-30-28-6-1-2-7-29(28)31(23-32(30)39-33)36-16-20-38-21-17-36/h1-14,23H,15-22H2;1-13,22-23H,14-21H2
InChIKeyMBOHBHXOQONUHK-UHFFFAOYSA-N
MW1095.25 g/mol
LogP12.88
Rot. Bonds8

About 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

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 (PubChem CID 159518975) has the molecular formula C67H62F4N4O6 and a molecular weight of 1095.25 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID159518975
Molecular FormulaC67H62F4N4O6
Molecular Weight1095.25 g/mol
Exact Mass1094.46
IUPAC Name4-[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
SMILESFC(F)(F)c1ccc(C2(c3ccc(N4CCOCC4)cc3)C=Cc3c(cc(N4CCOCC4)c4ccccc34)O2)cc1.Fc1cccc(C2(c3ccc(N4CCOCC4)cc3)C=Cc3c(cc(N4CCOCC4)c4ccccc34)O2)c1
InChIInChI=1S/C34H31F3N2O3.C33H31FN2O3/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;34-26-5-3-4-25(22-26)33(24-8-10-27(11-9-24)35-14-18-37-19-15-35)13-12-30-28-6-1-2-7-29(28)31(23-32(30)39-33)36-16-20-38-21-17-36/h1-14,23H,15-22H2;1-13,22-23H,14-21H2
InChIKeyMBOHBHXOQONUHK-UHFFFAOYSA-N
XLogP12.88
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001095.25
LogP ≤ 512.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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'}

Analyze 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 with MolForge

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Related Compounds

4-[3-[(3R)-3-(2-fluorophenyl)-6-morpholin-4-ylbenzo[f]chromen-3-yl]phenyl]morpholine
CID 21305843
4-[3-(4-methylphenyl)-3-phenylbenzo[f]chromen-6-yl]morpholine
CID 59805283
4-[3-(4-methylphenyl)-3-(4-piperidin-1-ylphenyl)benzo[f]chromen-6-yl]morpholine
CID 23514747
4-[3-(4-methoxyphenyl)-3-phenylbenzo[f]chromen-6-yl]morpholine
CID 15868597
4-[3-(3-fluoro-4-methylphenyl)-3-(4-methoxy-3-methylphenyl)benzo[f]chromen-6-yl]morpholine
CID 163531869
4-spiro[benzo[f]chromene-3,9'-fluorene]-6-ylmorpholine
CID 18714042
4-[2-[4-(dimethylamino)phenyl]-7,9-dimethoxy-5-methylbenzo[h]chromen-2-yl]-N,N-dimethylaniline;4-[4-[3-(3-fluorophenyl)-6-morpholin-4-ylbenzo[f]chromen-3-yl]phenyl]morpholine;bis(4-[4-(10-methoxy-5-phenylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8(13),9,11,15,17,19-nonaene-21,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-5-yl)phenyl]morpholine)
CID 162262083
4-[3-methyl-3-[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]benzo[f]chromen-6-yl]morpholine
CID 139813735
4-[3,3-bis(3-fluoro-4-methoxyphenyl)benzo[f]chromen-6-yl]thiomorpholine
CID 23228089
4-(2,2-diphenylchromen-6-yl)morpholine
CID 102389036
3,3-bis[3-(trifluoromethyl)phenyl]benzo[f]chromene
CID 71346281
4-[1-phenyl-3,3-bis(4-pyrrolidin-1-ylphenyl)benzo[f]chromen-6-yl]morpholine
CID 164569567

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is FC(F)(F)c1ccc(C2(c3ccc(N4CCOCC4)cc3)C=Cc3c(cc(N4CCOCC4)c4ccccc34)O2)cc1.Fc1cccc(C2(c3ccc(N4CCOCC4)cc3)C=Cc3c(cc(N4CCOCC4)c4ccccc34)O2)c1.
What is the InChIKey of 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?
The InChIKey is MBOHBHXOQONUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H31F3N2O3.C33H31FN2O3/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;34-26-5-3-4-25(22-26)33(24-8-10-27(11-9-24)35-14-18-37-19-15-35)13-12-30-28-6-1-2-7-29(28)31(23-32(30)39-33)36-16-20-38-21-17-36/h1-14,23H,15-22H2;1-13,22-23H,14-21H2.
What are the key properties of 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?
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 has a molecular weight of 1095.25 g/mol, XLogP of 12.88, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159518975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).