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

C28H27NO — CID 72950876

IUPAC4-[2-[(3E)-3-[(2-phenylphenyl)methylidene]inden-1-yl]ethyl]morpholine
SMILESC1=C(CCN2CCOCC2)c2ccccc2/C1=C/c1ccccc1-c1ccccc1
InChIInChI=1S/C28H27NO/c1-2-8-22(9-3-1)26-11-5-4-10-23(26)20-25-21-24(27-12-6-7-13-28(25)27)14-15-29-16-18-30-19-17-29/h1-13,20-21H,14-19H2/b25-20+
InChIKeyFBPPFUNGNYAQOV-LKUDQCMESA-N
MW393.53 g/mol
LogP6.01
Rot. Bonds5

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

4-[2-[(3E)-3-[(2-phenylphenyl)methylidene]inden-1-yl]ethyl]morpholine (PubChem CID 72950876) has the molecular formula C28H27NO and a molecular weight of 393.53 g/mol. Its IUPAC name is 4-[2-[(3E)-3-[(2-phenylphenyl)methylidene]inden-1-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[(3E)-3-[(2-phenylphenyl)methylidene]inden-1-yl]ethyl]morpholine
PubChem CID72950876
Molecular FormulaC28H27NO
Molecular Weight393.53 g/mol
Exact Mass393.21
IUPAC Name4-[2-[(3E)-3-[(2-phenylphenyl)methylidene]inden-1-yl]ethyl]morpholine
SMILESC1=C(CCN2CCOCC2)c2ccccc2/C1=C/c1ccccc1-c1ccccc1
InChIInChI=1S/C28H27NO/c1-2-8-22(9-3-1)26-11-5-4-10-23(26)20-25-21-24(27-12-6-7-13-28(25)27)14-15-29-16-18-30-19-17-29/h1-13,20-21H,14-19H2/b25-20+
InChIKeyFBPPFUNGNYAQOV-LKUDQCMESA-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'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(3E)-3-[(2-phenylphenyl)methylidene]inden-1-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[(3E)-3-[(2-phenylphenyl)methylidene]inden-1-yl]ethyl]morpholine (CID 72950876) is 4-[2-[(3E)-3-[(2-phenylphenyl)methylidene]inden-1-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[(3E)-3-[(2-phenylphenyl)methylidene]inden-1-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[(3E)-3-[(2-phenylphenyl)methylidene]inden-1-yl]ethyl]morpholine is C1=C(CCN2CCOCC2)c2ccccc2/C1=C/c1ccccc1-c1ccccc1.
What is the InChIKey of 4-[2-[(3E)-3-[(2-phenylphenyl)methylidene]inden-1-yl]ethyl]morpholine?
The InChIKey is FBPPFUNGNYAQOV-LKUDQCMESA-N. The full InChI is InChI=1S/C28H27NO/c1-2-8-22(9-3-1)26-11-5-4-10-23(26)20-25-21-24(27-12-6-7-13-28(25)27)14-15-29-16-18-30-19-17-29/h1-13,20-21H,14-19H2/b25-20+.
What are the key properties of 4-[2-[(3E)-3-[(2-phenylphenyl)methylidene]inden-1-yl]ethyl]morpholine?
4-[2-[(3E)-3-[(2-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-[(2-phenylphenyl)methylidene]inden-1-yl]ethyl]morpholine is sourced from PubChem (CID 72950876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).