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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Related Compounds

4-(4-cyclohexa-2,4-dien-1-ylnaphthalen-1-yl)-6-phenyl-2-(2-spiro[8,8a-dihydroxanthene-9,9'-fluorene]-3-ylphenyl)pyrimidine
CID 130379515
5'-bromo-2'-chlorospiro[1,9a-dihydroxanthene-9,9'-fluorene]
CID 139476045
9-phenyl-1-(6'-phenylspiro[1,9a-dihydroxanthene-9,9'-xanthene]-3'-yl)carbazole
CID 118860674
2,4-bis(3-phenylphenyl)-6-(4-spiro[3,4-dihydrofluorene-9,9'-8,8a-dihydroxanthene]-3'-ylphenyl)-1,3,5-triazine
CID 130379921
1-(4-bromophenyl)-N-[(Z)-1-phenylprop-1-enyl]ethanimine
CID 145462827
N-[(3Z)-2-methylpenta-1,3-dien-3-yl]-1-phenylethanimine
CID 126661807
N-[(E)-1,2-diphenylethenyl]-1-phenylethanimine
CID 14709228
N-[(1Z)-3-[4-[4-[1-[[cyclohex-2-en-1-yl-(3'-methylspiro[fluorene-9,1'-indene]-2'-yl)methylidene]amino]ethenyl]phenyl]phenyl]-1-phenylbuta-1,3-dienyl]-1-phenylethanimine
CID 129084787
N-benzo[c]phenanthren-5-yl-N-(9,9-dimethylfluoren-3-yl)-9,9a-dihydrodibenzofuran-3-amine
CID 170228260
4-phenyl-6-(6-phenylcyclohexa-1,3-dien-1-yl)-2-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine
CID 155443087
2',7'-dicyclohexyl-N-phenyl-N-spiro[8,8a-dihydrofluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 174279417
4-(6-phenylspiro[1,9a-dihydrofluorene-9,19'-pentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaene]-8'-yl)dibenzothiophene
CID 88558300

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).