4-[2-[(3E)-3-[(3-phenylphenyl)methylidene]inden-1-yl]ethyl]morpholine

C28H27NO — CID 72948235

IUPAC4-[2-[(3E)-3-[(3-phenylphenyl)methylidene]inden-1-yl]ethyl]morpholine
SMILESC1=C(CCN2CCOCC2)c2ccccc2/C1=C/c1cccc(-c2ccccc2)c1
InChIInChI=1S/C28H27NO/c1-2-8-23(9-3-1)24-10-6-7-22(19-24)20-26-21-25(27-11-4-5-12-28(26)27)13-14-29-15-17-30-18-16-29/h1-12,19-21H,13-18H2/b26-20+
InChIKeyVNTASALHKXVWPU-LHLOQNFPSA-N
MW393.53 g/mol
LogP6.01
Rot. Bonds5

About 4-[2-[(3E)-3-[(3-phenylphenyl)methylidene]inden-1-yl]ethyl]morpholine

4-[2-[(3E)-3-[(3-phenylphenyl)methylidene]inden-1-yl]ethyl]morpholine (PubChem CID 72948235) has the molecular formula C28H27NO and a molecular weight of 393.53 g/mol. Its IUPAC name is 4-[2-[(3E)-3-[(3-phenylphenyl)methylidene]inden-1-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[(3E)-3-[(3-phenylphenyl)methylidene]inden-1-yl]ethyl]morpholine
PubChem CID72948235
Molecular FormulaC28H27NO
Molecular Weight393.53 g/mol
Exact Mass393.21
IUPAC Name4-[2-[(3E)-3-[(3-phenylphenyl)methylidene]inden-1-yl]ethyl]morpholine
SMILESC1=C(CCN2CCOCC2)c2ccccc2/C1=C/c1cccc(-c2ccccc2)c1
InChIInChI=1S/C28H27NO/c1-2-8-23(9-3-1)24-10-6-7-22(19-24)20-26-21-25(27-11-4-5-12-28(26)27)13-14-29-15-17-30-18-16-29/h1-12,19-21H,13-18H2/b26-20+
InChIKeyVNTASALHKXVWPU-LHLOQNFPSA-N
XLogP6.01
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.53
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[2-[(3E)-3-[(3-phenylphenyl)methylidene]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

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(3E)-3-[(3-phenylphenyl)methylidene]inden-1-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[(3E)-3-[(3-phenylphenyl)methylidene]inden-1-yl]ethyl]morpholine (CID 72948235) is 4-[2-[(3E)-3-[(3-phenylphenyl)methylidene]inden-1-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[(3E)-3-[(3-phenylphenyl)methylidene]inden-1-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[(3E)-3-[(3-phenylphenyl)methylidene]inden-1-yl]ethyl]morpholine is C1=C(CCN2CCOCC2)c2ccccc2/C1=C/c1cccc(-c2ccccc2)c1.
What is the InChIKey of 4-[2-[(3E)-3-[(3-phenylphenyl)methylidene]inden-1-yl]ethyl]morpholine?
The InChIKey is VNTASALHKXVWPU-LHLOQNFPSA-N. The full InChI is InChI=1S/C28H27NO/c1-2-8-23(9-3-1)24-10-6-7-22(19-24)20-26-21-25(27-11-4-5-12-28(26)27)13-14-29-15-17-30-18-16-29/h1-12,19-21H,13-18H2/b26-20+.
What are the key properties of 4-[2-[(3E)-3-[(3-phenylphenyl)methylidene]inden-1-yl]ethyl]morpholine?
4-[2-[(3E)-3-[(3-phenylphenyl)methylidene]inden-1-yl]ethyl]morpholine has a molecular weight of 393.53 g/mol, XLogP of 6.01, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(3E)-3-[(3-phenylphenyl)methylidene]inden-1-yl]ethyl]morpholine is sourced from PubChem (CID 72948235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).