4-[2-[(3E)-3-(phenanthren-4-ylmethylidene)inden-1-yl]ethyl]morpholine

C30H27NO — CID 72950874

IUPAC4-[2-[(3E)-3-(phenanthren-4-ylmethylidene)inden-1-yl]ethyl]morpholine
SMILESC1=C(CCN2CCOCC2)c2ccccc2/C1=C/c1cccc2ccc3ccccc3c12
InChIInChI=1S/C30H27NO/c1-2-11-29-22(6-1)12-13-23-7-5-8-25(30(23)29)21-26-20-24(27-9-3-4-10-28(26)27)14-15-31-16-18-32-19-17-31/h1-13,20-21H,14-19H2/b26-21+
InChIKeyHTZQBFBLIBQDOS-YYADALCUSA-N
MW417.55 g/mol
LogP6.65
Rot. Bonds4

About 4-[2-[(3E)-3-(phenanthren-4-ylmethylidene)inden-1-yl]ethyl]morpholine

4-[2-[(3E)-3-(phenanthren-4-ylmethylidene)inden-1-yl]ethyl]morpholine (PubChem CID 72950874) has the molecular formula C30H27NO and a molecular weight of 417.55 g/mol. Its IUPAC name is 4-[2-[(3E)-3-(phenanthren-4-ylmethylidene)inden-1-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[(3E)-3-(phenanthren-4-ylmethylidene)inden-1-yl]ethyl]morpholine
PubChem CID72950874
Molecular FormulaC30H27NO
Molecular Weight417.55 g/mol
Exact Mass417.21
IUPAC Name4-[2-[(3E)-3-(phenanthren-4-ylmethylidene)inden-1-yl]ethyl]morpholine
SMILESC1=C(CCN2CCOCC2)c2ccccc2/C1=C/c1cccc2ccc3ccccc3c12
InChIInChI=1S/C30H27NO/c1-2-11-29-22(6-1)12-13-23-7-5-8-25(30(23)29)21-26-20-24(27-9-3-4-10-28(26)27)14-15-31-16-18-32-19-17-31/h1-13,20-21H,14-19H2/b26-21+
InChIKeyHTZQBFBLIBQDOS-YYADALCUSA-N
XLogP6.65
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.55
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 4-[2-[(3E)-3-(phenanthren-4-ylmethylidene)inden-1-yl]ethyl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-[(3E)-3-[(4-ethylnaphthalen-1-yl)methylidene]inden-1-yl]ethyl]morpholine
CID 72950702
PrNMI
CID 72950872
4-(2-Naphthylmethyl)morpholine
CID 783185
4-(2-{3-[1-Naphthalen-1-yl-meth-(E)-ylidene]-3H-inden-1-yl}-ethyl)-morpholine
CID 9976253
4-(2-{3-[1-Naphthalen-1-yl-meth-(Z)-ylidene]-3H-inden-1-yl}-ethyl)-morpholine
CID 10546947
4-(2-{2-Methyl-3-[1-naphthalen-1-yl-meth-(Z)-ylidene]-3H-inden-1-yl}-ethyl)-morpholine
CID 10619854
4-(2-{2-Methyl-3-[1-naphthalen-1-yl-meth-(E)-ylidene]-3H-inden-1-yl}-ethyl)-morpholine
CID 10667559
4-(2-{3-[1-Phenyl-meth-(E)-ylidene]-3H-inden-1-yl}-ethyl)-morpholine
CID 44350470
4-[2-[(3E)-3-(naphthalen-2-ylmethylidene)inden-1-yl]ethyl]morpholine
CID 72948233
4-[2-[(3E)-3-(1,2-dihydroacenaphthylen-5-ylmethylidene)inden-1-yl]ethyl]morpholine
CID 72950873
4-[2-[(3E)-3-[(2-phenylphenyl)methylidene]inden-1-yl]ethyl]morpholine
CID 72950876
4-[2-[(3E)-3-[(2-methylphenyl)methylidene]inden-1-yl]ethyl]morpholine
CID 118332422

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(3E)-3-(phenanthren-4-ylmethylidene)inden-1-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[(3E)-3-(phenanthren-4-ylmethylidene)inden-1-yl]ethyl]morpholine (CID 72950874) is 4-[2-[(3E)-3-(phenanthren-4-ylmethylidene)inden-1-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[(3E)-3-(phenanthren-4-ylmethylidene)inden-1-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[(3E)-3-(phenanthren-4-ylmethylidene)inden-1-yl]ethyl]morpholine is C1=C(CCN2CCOCC2)c2ccccc2/C1=C/c1cccc2ccc3ccccc3c12.
What is the InChIKey of 4-[2-[(3E)-3-(phenanthren-4-ylmethylidene)inden-1-yl]ethyl]morpholine?
The InChIKey is HTZQBFBLIBQDOS-YYADALCUSA-N. The full InChI is InChI=1S/C30H27NO/c1-2-11-29-22(6-1)12-13-23-7-5-8-25(30(23)29)21-26-20-24(27-9-3-4-10-28(26)27)14-15-31-16-18-32-19-17-31/h1-13,20-21H,14-19H2/b26-21+.
What are the key properties of 4-[2-[(3E)-3-(phenanthren-4-ylmethylidene)inden-1-yl]ethyl]morpholine?
4-[2-[(3E)-3-(phenanthren-4-ylmethylidene)inden-1-yl]ethyl]morpholine has a molecular weight of 417.55 g/mol, XLogP of 6.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(3E)-3-(phenanthren-4-ylmethylidene)inden-1-yl]ethyl]morpholine is sourced from PubChem (CID 72950874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).