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

C30H27NO3 — CID 15868597

IUPAC4-[3-(4-methoxyphenyl)-3-phenylbenzo[f]chromen-6-yl]morpholine
SMILESCOc1ccc(C2(c3ccccc3)C=Cc3c(cc(N4CCOCC4)c4ccccc34)O2)cc1
InChIInChI=1S/C30H27NO3/c1-32-24-13-11-23(12-14-24)30(22-7-3-2-4-8-22)16-15-27-25-9-5-6-10-26(25)28(21-29(27)34-30)31-17-19-33-20-18-31/h2-16,21H,17-20H2,1H3
InChIKeyWFECAZSYGNGIIC-UHFFFAOYSA-N
MW449.55 g/mol
LogP6.03
Rot. Bonds4

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

4-[3-(4-methoxyphenyl)-3-phenylbenzo[f]chromen-6-yl]morpholine (PubChem CID 15868597) has the molecular formula C30H27NO3 and a molecular weight of 449.55 g/mol. Its IUPAC name is 4-[3-(4-methoxyphenyl)-3-phenylbenzo[f]chromen-6-yl]morpholine.

Molecular Properties

Compound Name4-[3-(4-methoxyphenyl)-3-phenylbenzo[f]chromen-6-yl]morpholine
PubChem CID15868597
Molecular FormulaC30H27NO3
Molecular Weight449.55 g/mol
Exact Mass449.20
IUPAC Name4-[3-(4-methoxyphenyl)-3-phenylbenzo[f]chromen-6-yl]morpholine
SMILESCOc1ccc(C2(c3ccccc3)C=Cc3c(cc(N4CCOCC4)c4ccccc34)O2)cc1
InChIInChI=1S/C30H27NO3/c1-32-24-13-11-23(12-14-24)30(22-7-3-2-4-8-22)16-15-27-25-9-5-6-10-26(25)28(21-29(27)34-30)31-17-19-33-20-18-31/h2-16,21H,17-20H2,1H3
InChIKeyWFECAZSYGNGIIC-UHFFFAOYSA-N
XLogP6.03
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.55
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-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-(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-[4-[11-(4-methoxyphenyl)phenanthro[9,10-g]chromen-11-yl]phenyl]morpholine
CID 170543909
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
4,4,17,17-tetrakis(4-methoxyphenyl)-3,18-dioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),5,8,10,12,15-heptaene
CID 4316919
4-[10-methoxy-5,5-bis(4-methoxyphenyl)-21,21-dimethyl-6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaen-11-yl]morpholine
CID 66935735
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
8-methoxy-3-phenyl-3-(4-phenylphenyl)benzo[f]chromene
CID 15331134

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-methoxyphenyl)-3-phenylbenzo[f]chromen-6-yl]morpholine?
The IUPAC name of 4-[3-(4-methoxyphenyl)-3-phenylbenzo[f]chromen-6-yl]morpholine (CID 15868597) is 4-[3-(4-methoxyphenyl)-3-phenylbenzo[f]chromen-6-yl]morpholine.
What is the SMILES notation for 4-[3-(4-methoxyphenyl)-3-phenylbenzo[f]chromen-6-yl]morpholine?
The canonical SMILES for 4-[3-(4-methoxyphenyl)-3-phenylbenzo[f]chromen-6-yl]morpholine is COc1ccc(C2(c3ccccc3)C=Cc3c(cc(N4CCOCC4)c4ccccc34)O2)cc1.
What is the InChIKey of 4-[3-(4-methoxyphenyl)-3-phenylbenzo[f]chromen-6-yl]morpholine?
The InChIKey is WFECAZSYGNGIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27NO3/c1-32-24-13-11-23(12-14-24)30(22-7-3-2-4-8-22)16-15-27-25-9-5-6-10-26(25)28(21-29(27)34-30)31-17-19-33-20-18-31/h2-16,21H,17-20H2,1H3.
What are the key properties of 4-[3-(4-methoxyphenyl)-3-phenylbenzo[f]chromen-6-yl]morpholine?
4-[3-(4-methoxyphenyl)-3-phenylbenzo[f]chromen-6-yl]morpholine has a molecular weight of 449.55 g/mol, XLogP of 6.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-methoxyphenyl)-3-phenylbenzo[f]chromen-6-yl]morpholine is sourced from PubChem (CID 15868597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).