4-(N-[(3E)-hexa-1,3,5-trien-3-yl]anilino)benzaldehyde

C19H17NO — CID 143629119

IUPAC4-(N-[(3E)-hexa-1,3,5-trien-3-yl]anilino)benzaldehyde
SMILESC=C/C=C(\C=C)N(c1ccccc1)c1ccc(C=O)cc1
InChIInChI=1S/C19H17NO/c1-3-8-17(4-2)20(18-9-6-5-7-10-18)19-13-11-16(15-21)12-14-19/h3-15H,1-2H2/b17-8+
InChIKeyFQBHISIVRYVICS-CAOOACKPSA-N
MW275.35 g/mol
LogP4.89
Rot. Bonds6

About 4-(N-[(3E)-hexa-1,3,5-trien-3-yl]anilino)benzaldehyde

4-(N-[(3E)-hexa-1,3,5-trien-3-yl]anilino)benzaldehyde (PubChem CID 143629119) has the molecular formula C19H17NO and a molecular weight of 275.35 g/mol. Its IUPAC name is 4-(N-[(3E)-hexa-1,3,5-trien-3-yl]anilino)benzaldehyde.

Molecular Properties

Compound Name4-(N-[(3E)-hexa-1,3,5-trien-3-yl]anilino)benzaldehyde
PubChem CID143629119
Molecular FormulaC19H17NO
Molecular Weight275.35 g/mol
Exact Mass275.13
IUPAC Name4-(N-[(3E)-hexa-1,3,5-trien-3-yl]anilino)benzaldehyde
SMILESC=C/C=C(\C=C)N(c1ccccc1)c1ccc(C=O)cc1
InChIInChI=1S/C19H17NO/c1-3-8-17(4-2)20(18-9-6-5-7-10-18)19-13-11-16(15-21)12-14-19/h3-15H,1-2H2/b17-8+
InChIKeyFQBHISIVRYVICS-CAOOACKPSA-N
XLogP4.89
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(N-[(3E)-hexa-1,3,5-trien-3-yl]anilino)phenyl]-N,N-diphenylaniline
CID 144794332
4-(4-bromophenyl)-N-[(3E)-hexa-1,3,5-trien-3-yl]-N-phenylaniline
CID 145273368
1-(4-formylphenyl)-1-phenylurea
CID 57262410
N-[4-[4-(N-[(3E)-hexa-1,3,5-trien-3-yl]-4-methylanilino)phenyl]phenyl]-4-methyl-N-phenylaniline
CID 166937509
5-[4-(N-[(3E)-hexa-1,3,5-trien-3-yl]anilino)phenyl]thiophene-2-carbaldehyde;methanethiol
CID 145446536
N-[(3E)-hexa-1,3,5-trien-3-yl]-6-methyl-N-phenylpyridin-3-amine
CID 142949785
N-[(3E)-hexa-1,3,5-trien-3-yl]-N-[(2E)-penta-2,4-dien-2-yl]-4-[(2E,4E)-5-(N-phenylanilino)hepta-2,4,6-trien-2-yl]aniline
CID 130421401
1-N,4-N-bis(3-ethenoxyphenyl)-1-N,4-N-bis[(3E)-hexa-1,3,5-trien-3-yl]benzene-1,4-diamine
CID 144980538
4-N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1-N-[4-(N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]anilino)phenyl]-1-N-[4-(N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]anilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 154968336
ethane;N-[(3E)-hexa-1,3,5-trien-3-yl]-N-methylaniline
CID 144531022
N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;4-ethenyl-N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)benzaldehyde
CID 160992950
ethane;N-[3-[4-[4-[[(3E)-hexa-1,3,5-trien-3-yl]-naphthalen-2-ylamino]phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 145407631

Frequently Asked Questions

What is the IUPAC name of 4-(N-[(3E)-hexa-1,3,5-trien-3-yl]anilino)benzaldehyde?
The IUPAC name of 4-(N-[(3E)-hexa-1,3,5-trien-3-yl]anilino)benzaldehyde (CID 143629119) is 4-(N-[(3E)-hexa-1,3,5-trien-3-yl]anilino)benzaldehyde.
What is the SMILES notation for 4-(N-[(3E)-hexa-1,3,5-trien-3-yl]anilino)benzaldehyde?
The canonical SMILES for 4-(N-[(3E)-hexa-1,3,5-trien-3-yl]anilino)benzaldehyde is C=C/C=C(\C=C)N(c1ccccc1)c1ccc(C=O)cc1.
What is the InChIKey of 4-(N-[(3E)-hexa-1,3,5-trien-3-yl]anilino)benzaldehyde?
The InChIKey is FQBHISIVRYVICS-CAOOACKPSA-N. The full InChI is InChI=1S/C19H17NO/c1-3-8-17(4-2)20(18-9-6-5-7-10-18)19-13-11-16(15-21)12-14-19/h3-15H,1-2H2/b17-8+.
What are the key properties of 4-(N-[(3E)-hexa-1,3,5-trien-3-yl]anilino)benzaldehyde?
4-(N-[(3E)-hexa-1,3,5-trien-3-yl]anilino)benzaldehyde has a molecular weight of 275.35 g/mol, XLogP of 4.89, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N-[(3E)-hexa-1,3,5-trien-3-yl]anilino)benzaldehyde is sourced from PubChem (CID 143629119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).