1-[3-(4-methylphenyl)phenyl]-N-[(1Z)-3-(4-methylphenyl)-1-phenylbuta-1,3-dienyl]ethanimine

C32H29N — CID 144588515

IUPAC1-[3-(4-methylphenyl)phenyl]-N-[(1Z)-3-(4-methylphenyl)-1-phenylbuta-1,3-dienyl]ethanimine
SMILESC=C(/C=C(\N=C(/C)c1cccc(-c2ccc(C)cc2)c1)c1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C32H29N/c1-23-13-17-27(18-14-23)25(3)21-32(29-9-6-5-7-10-29)33-26(4)30-11-8-12-31(22-30)28-19-15-24(2)16-20-28/h5-22H,3H2,1-2,4H3/b32-21-,33-26+
InChIKeyBOZDIQBLSLODBF-BWFOSNMDSA-N
MW427.59 g/mol
LogP8.53
Rot. Bonds6

About 1-[3-(4-methylphenyl)phenyl]-N-[(1Z)-3-(4-methylphenyl)-1-phenylbuta-1,3-dienyl]ethanimine

1-[3-(4-methylphenyl)phenyl]-N-[(1Z)-3-(4-methylphenyl)-1-phenylbuta-1,3-dienyl]ethanimine (PubChem CID 144588515) has the molecular formula C32H29N and a molecular weight of 427.59 g/mol. Its IUPAC name is 1-[3-(4-methylphenyl)phenyl]-N-[(1Z)-3-(4-methylphenyl)-1-phenylbuta-1,3-dienyl]ethanimine.

Molecular Properties

Compound Name1-[3-(4-methylphenyl)phenyl]-N-[(1Z)-3-(4-methylphenyl)-1-phenylbuta-1,3-dienyl]ethanimine
PubChem CID144588515
Molecular FormulaC32H29N
Molecular Weight427.59 g/mol
Exact Mass427.23
IUPAC Name1-[3-(4-methylphenyl)phenyl]-N-[(1Z)-3-(4-methylphenyl)-1-phenylbuta-1,3-dienyl]ethanimine
SMILESC=C(/C=C(\N=C(/C)c1cccc(-c2ccc(C)cc2)c1)c1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C32H29N/c1-23-13-17-27(18-14-23)25(3)21-32(29-9-6-5-7-10-29)33-26(4)30-11-8-12-31(22-30)28-19-15-24(2)16-20-28/h5-22H,3H2,1-2,4H3/b32-21-,33-26+
InChIKeyBOZDIQBLSLODBF-BWFOSNMDSA-N
XLogP8.53
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.59
LogP ≤ 58.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methylphenyl)-N-[(1Z)-1-[4-(4-methylphenyl)phenyl]-3-phenylbuta-1,3-dienyl]ethanimine
CID 155049501
1-[3-phenyl-5-(4-phenylphenyl)phenyl]-N-[(1Z)-1-phenyl-3-[3-phenyl-5-(4-phenylphenyl)phenyl]buta-1,3-dienyl]ethanimine
CID 130292214
N-[(1Z)-3-[3-[5-methyl-4-(2-methylphenyl)-6-phenylpyrimidin-2-yl]-5-(3-phenylphenyl)phenyl]-1-phenylbuta-1,3-dienyl]-1-phenylethanimine
CID 144969058
1-[3-[3-[(3E)-penta-1,3-dien-3-yl]phenyl]phenyl]-N-[1-(4-phenylphenyl)ethenyl]ethanimine
CID 142394381
N-[(1Z)-1,3-diphenylbuta-1,3-dienyl]-1-[4-[5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-(2-ethylphenyl)-2-methylphenyl]phenyl]ethanimine
CID 163569391
N-[(1Z)-3-dibenzofuran-3-yl-1-[3-[3-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]buta-1,3-dienyl]-1-phenylethanimine
CID 163822470
N-[(1Z)-1,3-diphenylbuta-1,3-dienyl]-1-[2-[5-[8-[3-[2-[N-[(1Z)-1,3-diphenylbuta-1,3-dienyl]-C-methylcarbonimidoyl]-6-methylphenyl]-4-methylphenyl]dibenzothiophen-2-yl]-2-methylphenyl]-3-methylphenyl]ethanimine
CID 139418446
N-[(1Z)-1,3-diphenylbuta-1,3-dienyl]-1-[4-[4-[3-(2-ethylphenyl)-4-methylsulfanylphenyl]phenoxy]phenyl]ethanimine
CID 146506301
1-[(3E,5E)-4-(3,5-diphenylphenyl)-6-(4-methylphenyl)hepta-1,3,5-trien-2-yl]-3,5-diphenylbenzene
CID 144969249
acetaldehyde;ethane;1-methyl-2-[(2Z)-4-[4-(3-methylphenyl)phenyl]penta-2,4-dien-2-yl]benzene
CID 145465538
N'-[1-(4-phenylphenyl)ethenyl]-N-[1-(4-phenylphenyl)ethylidene]-3-triphenylen-2-ylbenzenecarboximidamide
CID 167132034
N-[(1Z)-1,3-diphenylbuta-1,3-dienyl]-1-[3-[2'-ethenyl-3'-[(Z)-prop-1-enyl]spiro[fluorene-9,6'-indeno[2,1-g][1]benzofuran]-1-yl]phenyl]ethanimine
CID 155112395

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methylphenyl)phenyl]-N-[(1Z)-3-(4-methylphenyl)-1-phenylbuta-1,3-dienyl]ethanimine?
The IUPAC name of 1-[3-(4-methylphenyl)phenyl]-N-[(1Z)-3-(4-methylphenyl)-1-phenylbuta-1,3-dienyl]ethanimine (CID 144588515) is 1-[3-(4-methylphenyl)phenyl]-N-[(1Z)-3-(4-methylphenyl)-1-phenylbuta-1,3-dienyl]ethanimine.
What is the SMILES notation for 1-[3-(4-methylphenyl)phenyl]-N-[(1Z)-3-(4-methylphenyl)-1-phenylbuta-1,3-dienyl]ethanimine?
The canonical SMILES for 1-[3-(4-methylphenyl)phenyl]-N-[(1Z)-3-(4-methylphenyl)-1-phenylbuta-1,3-dienyl]ethanimine is C=C(/C=C(\N=C(/C)c1cccc(-c2ccc(C)cc2)c1)c1ccccc1)c1ccc(C)cc1.
What is the InChIKey of 1-[3-(4-methylphenyl)phenyl]-N-[(1Z)-3-(4-methylphenyl)-1-phenylbuta-1,3-dienyl]ethanimine?
The InChIKey is BOZDIQBLSLODBF-BWFOSNMDSA-N. The full InChI is InChI=1S/C32H29N/c1-23-13-17-27(18-14-23)25(3)21-32(29-9-6-5-7-10-29)33-26(4)30-11-8-12-31(22-30)28-19-15-24(2)16-20-28/h5-22H,3H2,1-2,4H3/b32-21-,33-26+.
What are the key properties of 1-[3-(4-methylphenyl)phenyl]-N-[(1Z)-3-(4-methylphenyl)-1-phenylbuta-1,3-dienyl]ethanimine?
1-[3-(4-methylphenyl)phenyl]-N-[(1Z)-3-(4-methylphenyl)-1-phenylbuta-1,3-dienyl]ethanimine has a molecular weight of 427.59 g/mol, XLogP of 8.53, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methylphenyl)phenyl]-N-[(1Z)-3-(4-methylphenyl)-1-phenylbuta-1,3-dienyl]ethanimine is sourced from PubChem (CID 144588515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).