1-phenyl-N-[(E)-1-spiro[8,8a-dihydroxanthene-9,9'-fluorene]-3-ylprop-1-enyl]ethanimine

C36H29NO — CID 130379244

IUPAC1-phenyl-N-[(E)-1-spiro[8,8a-dihydroxanthene-9,9'-fluorene]-3-ylprop-1-enyl]ethanimine
SMILESC/C=C(/N=C(\C)c1ccccc1)c1ccc2c(c1)OC1=CC=CCC1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C36H29NO/c1-3-33(37-24(2)25-13-5-4-6-14-25)26-21-22-32-35(23-26)38-34-20-12-11-19-31(34)36(32)29-17-9-7-15-27(29)28-16-8-10-18-30(28)36/h3-18,20-23,31H,19H2,1-2H3/b33-3+,37-24+
InChIKeyWLAAMGXVUOTUGL-ZHHQXBDVSA-N
MW491.63 g/mol
LogP8.72
Rot. Bonds3

About 1-phenyl-N-[(E)-1-spiro[8,8a-dihydroxanthene-9,9'-fluorene]-3-ylprop-1-enyl]ethanimine

1-phenyl-N-[(E)-1-spiro[8,8a-dihydroxanthene-9,9'-fluorene]-3-ylprop-1-enyl]ethanimine (PubChem CID 130379244) has the molecular formula C36H29NO and a molecular weight of 491.63 g/mol. Its IUPAC name is 1-phenyl-N-[(E)-1-spiro[8,8a-dihydroxanthene-9,9'-fluorene]-3-ylprop-1-enyl]ethanimine.

Molecular Properties

Compound Name1-phenyl-N-[(E)-1-spiro[8,8a-dihydroxanthene-9,9'-fluorene]-3-ylprop-1-enyl]ethanimine
PubChem CID130379244
Molecular FormulaC36H29NO
Molecular Weight491.63 g/mol
Exact Mass491.22
IUPAC Name1-phenyl-N-[(E)-1-spiro[8,8a-dihydroxanthene-9,9'-fluorene]-3-ylprop-1-enyl]ethanimine
SMILESC/C=C(/N=C(\C)c1ccccc1)c1ccc2c(c1)OC1=CC=CCC1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C36H29NO/c1-3-33(37-24(2)25-13-5-4-6-14-25)26-21-22-32-35(23-26)38-34-20-12-11-19-31(34)36(32)29-17-9-7-15-27(29)28-16-8-10-18-30(28)36/h3-18,20-23,31H,19H2,1-2H3/b33-3+,37-24+
InChIKeyWLAAMGXVUOTUGL-ZHHQXBDVSA-N
XLogP8.72
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.63
LogP ≤ 58.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[(E)-1-spiro[8,8a-dihydroxanthene-9,9'-fluorene]-3-ylprop-1-enyl]ethanimine?
The IUPAC name of 1-phenyl-N-[(E)-1-spiro[8,8a-dihydroxanthene-9,9'-fluorene]-3-ylprop-1-enyl]ethanimine (CID 130379244) is 1-phenyl-N-[(E)-1-spiro[8,8a-dihydroxanthene-9,9'-fluorene]-3-ylprop-1-enyl]ethanimine.
What is the SMILES notation for 1-phenyl-N-[(E)-1-spiro[8,8a-dihydroxanthene-9,9'-fluorene]-3-ylprop-1-enyl]ethanimine?
The canonical SMILES for 1-phenyl-N-[(E)-1-spiro[8,8a-dihydroxanthene-9,9'-fluorene]-3-ylprop-1-enyl]ethanimine is C/C=C(/N=C(\C)c1ccccc1)c1ccc2c(c1)OC1=CC=CCC1C21c2ccccc2-c2ccccc21.
What is the InChIKey of 1-phenyl-N-[(E)-1-spiro[8,8a-dihydroxanthene-9,9'-fluorene]-3-ylprop-1-enyl]ethanimine?
The InChIKey is WLAAMGXVUOTUGL-ZHHQXBDVSA-N. The full InChI is InChI=1S/C36H29NO/c1-3-33(37-24(2)25-13-5-4-6-14-25)26-21-22-32-35(23-26)38-34-20-12-11-19-31(34)36(32)29-17-9-7-15-27(29)28-16-8-10-18-30(28)36/h3-18,20-23,31H,19H2,1-2H3/b33-3+,37-24+.
What are the key properties of 1-phenyl-N-[(E)-1-spiro[8,8a-dihydroxanthene-9,9'-fluorene]-3-ylprop-1-enyl]ethanimine?
1-phenyl-N-[(E)-1-spiro[8,8a-dihydroxanthene-9,9'-fluorene]-3-ylprop-1-enyl]ethanimine has a molecular weight of 491.63 g/mol, XLogP of 8.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[(E)-1-spiro[8,8a-dihydroxanthene-9,9'-fluorene]-3-ylprop-1-enyl]ethanimine is sourced from PubChem (CID 130379244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).