4-[3-(4-methylphenyl)-3-phenylbenzo[f]chromen-6-yl]morpholine

C30H27NO2 — CID 59805283

IUPAC4-[3-(4-methylphenyl)-3-phenylbenzo[f]chromen-6-yl]morpholine
SMILESCc1ccc(C2(c3ccccc3)C=Cc3c(cc(N4CCOCC4)c4ccccc34)O2)cc1
InChIInChI=1S/C30H27NO2/c1-22-11-13-24(14-12-22)30(23-7-3-2-4-8-23)16-15-27-25-9-5-6-10-26(25)28(21-29(27)33-30)31-17-19-32-20-18-31/h2-16,21H,17-20H2,1H3
InChIKeySPSXXNBSDYVZLG-UHFFFAOYSA-N
MW433.55 g/mol
LogP6.33
Rot. Bonds3

About 4-[3-(4-methylphenyl)-3-phenylbenzo[f]chromen-6-yl]morpholine

4-[3-(4-methylphenyl)-3-phenylbenzo[f]chromen-6-yl]morpholine (PubChem CID 59805283) has the molecular formula C30H27NO2 and a molecular weight of 433.55 g/mol. Its IUPAC name is 4-[3-(4-methylphenyl)-3-phenylbenzo[f]chromen-6-yl]morpholine.

Molecular Properties

Compound Name4-[3-(4-methylphenyl)-3-phenylbenzo[f]chromen-6-yl]morpholine
PubChem CID59805283
Molecular FormulaC30H27NO2
Molecular Weight433.55 g/mol
Exact Mass433.20
IUPAC Name4-[3-(4-methylphenyl)-3-phenylbenzo[f]chromen-6-yl]morpholine
SMILESCc1ccc(C2(c3ccccc3)C=Cc3c(cc(N4CCOCC4)c4ccccc34)O2)cc1
InChIInChI=1S/C30H27NO2/c1-22-11-13-24(14-12-22)30(23-7-3-2-4-8-23)16-15-27-25-9-5-6-10-26(25)28(21-29(27)33-30)31-17-19-32-20-18-31/h2-16,21H,17-20H2,1H3
InChIKeySPSXXNBSDYVZLG-UHFFFAOYSA-N
XLogP6.33
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.55
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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-spiro[benzo[f]chromene-3,9'-fluorene]-6-ylmorpholine
CID 18714042
4-[3-(3-fluoro-4-methylphenyl)-3-(4-methoxy-3-methylphenyl)benzo[f]chromen-6-yl]morpholine
CID 163531869
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
4-[3-[(3R)-3-(2-fluorophenyl)-6-morpholin-4-ylbenzo[f]chromen-3-yl]phenyl]morpholine
CID 21305843
4-[3,3-bis(3-fluoro-4-methoxyphenyl)benzo[f]chromen-6-yl]thiomorpholine
CID 23228089
4-[4-(18,21,21-trimethyl-5-phenyl-6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15(20),16,18-nonaen-5-yl)phenyl]morpholine
CID 142468683
4-(2,2-diphenylchromen-6-yl)morpholine
CID 102389036
4-[1-phenyl-3,3-bis(4-pyrrolidin-1-ylphenyl)benzo[f]chromen-6-yl]morpholine
CID 164569567
1-[4-(3-phenyl-8-piperidin-1-ylbenzo[f]chromen-3-yl)phenyl]azepane
CID 69137892
4-[3-methyl-3-[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]benzo[f]chromen-6-yl]morpholine
CID 139813735

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-methylphenyl)-3-phenylbenzo[f]chromen-6-yl]morpholine?
The IUPAC name of 4-[3-(4-methylphenyl)-3-phenylbenzo[f]chromen-6-yl]morpholine (CID 59805283) is 4-[3-(4-methylphenyl)-3-phenylbenzo[f]chromen-6-yl]morpholine.
What is the SMILES notation for 4-[3-(4-methylphenyl)-3-phenylbenzo[f]chromen-6-yl]morpholine?
The canonical SMILES for 4-[3-(4-methylphenyl)-3-phenylbenzo[f]chromen-6-yl]morpholine is Cc1ccc(C2(c3ccccc3)C=Cc3c(cc(N4CCOCC4)c4ccccc34)O2)cc1.
What is the InChIKey of 4-[3-(4-methylphenyl)-3-phenylbenzo[f]chromen-6-yl]morpholine?
The InChIKey is SPSXXNBSDYVZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27NO2/c1-22-11-13-24(14-12-22)30(23-7-3-2-4-8-23)16-15-27-25-9-5-6-10-26(25)28(21-29(27)33-30)31-17-19-32-20-18-31/h2-16,21H,17-20H2,1H3.
What are the key properties of 4-[3-(4-methylphenyl)-3-phenylbenzo[f]chromen-6-yl]morpholine?
4-[3-(4-methylphenyl)-3-phenylbenzo[f]chromen-6-yl]morpholine has a molecular weight of 433.55 g/mol, XLogP of 6.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-methylphenyl)-3-phenylbenzo[f]chromen-6-yl]morpholine is sourced from PubChem (CID 59805283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).