4-(4-bromophenyl)-N-[(3E)-hexa-1,3,5-trien-3-yl]-N-phenylaniline

C24H20BrN — CID 145273368

IUPAC4-(4-bromophenyl)-N-[(3E)-hexa-1,3,5-trien-3-yl]-N-phenylaniline
SMILESC=C/C=C(\C=C)N(c1ccccc1)c1ccc(-c2ccc(Br)cc2)cc1
InChIInChI=1S/C24H20BrN/c1-3-8-22(4-2)26(23-9-6-5-7-10-23)24-17-13-20(14-18-24)19-11-15-21(25)16-12-19/h3-18H,1-2H2/b22-8+
InChIKeyVYXIZIHQSTZOQA-GZIVZEMBSA-N
MW402.34 g/mol
LogP7.51
Rot. Bonds6

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

4-(4-bromophenyl)-N-[(3E)-hexa-1,3,5-trien-3-yl]-N-phenylaniline (PubChem CID 145273368) has the molecular formula C24H20BrN and a molecular weight of 402.34 g/mol. Its IUPAC name is 4-(4-bromophenyl)-N-[(3E)-hexa-1,3,5-trien-3-yl]-N-phenylaniline.

Molecular Properties

Compound Name4-(4-bromophenyl)-N-[(3E)-hexa-1,3,5-trien-3-yl]-N-phenylaniline
PubChem CID145273368
Molecular FormulaC24H20BrN
Molecular Weight402.34 g/mol
Exact Mass401.08
IUPAC Name4-(4-bromophenyl)-N-[(3E)-hexa-1,3,5-trien-3-yl]-N-phenylaniline
SMILESC=C/C=C(\C=C)N(c1ccccc1)c1ccc(-c2ccc(Br)cc2)cc1
InChIInChI=1S/C24H20BrN/c1-3-8-22(4-2)26(23-9-6-5-7-10-23)24-17-13-20(14-18-24)19-11-15-21(25)16-12-19/h3-18H,1-2H2/b22-8+
InChIKeyVYXIZIHQSTZOQA-GZIVZEMBSA-N
XLogP7.51
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.34
LogP ≤ 57.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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
N-[4-[4-(N-[(3E)-hexa-1,3,5-trien-3-yl]-4-methylanilino)phenyl]phenyl]-4-methyl-N-phenylaniline
CID 166937509
4-(N-[(3E)-hexa-1,3,5-trien-3-yl]anilino)benzaldehyde
CID 143629119
4-bromo-N-(4-bromophenyl)-N-penta-1,3-dien-3-ylaniline
CID 123816813
1-N,1-N-diphenyl-4-N-[(2E,4E)-5-(N-[4-(N-phenylanilino)phenyl]anilino)hepta-2,4,6-trien-2-yl]-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 130205076
N-[(3E)-hexa-1,3,5-trien-3-yl]-6-methyl-N-phenylpyridin-3-amine
CID 142949785
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
N-(4-bromophenyl)-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-methylaniline
CID 144788159
5-[4-(N-[(3E)-hexa-1,3,5-trien-3-yl]anilino)phenyl]thiophene-2-carbaldehyde;methanethiol
CID 145446536
N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-[4-[4-[[(3E,5Z)-hepta-1,3,5-trien-3-yl]-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]amino]phenyl]phenyl]-N-phenylaniline
CID 155279550
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

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-N-[(3E)-hexa-1,3,5-trien-3-yl]-N-phenylaniline?
The IUPAC name of 4-(4-bromophenyl)-N-[(3E)-hexa-1,3,5-trien-3-yl]-N-phenylaniline (CID 145273368) is 4-(4-bromophenyl)-N-[(3E)-hexa-1,3,5-trien-3-yl]-N-phenylaniline.
What is the SMILES notation for 4-(4-bromophenyl)-N-[(3E)-hexa-1,3,5-trien-3-yl]-N-phenylaniline?
The canonical SMILES for 4-(4-bromophenyl)-N-[(3E)-hexa-1,3,5-trien-3-yl]-N-phenylaniline is C=C/C=C(\C=C)N(c1ccccc1)c1ccc(-c2ccc(Br)cc2)cc1.
What is the InChIKey of 4-(4-bromophenyl)-N-[(3E)-hexa-1,3,5-trien-3-yl]-N-phenylaniline?
The InChIKey is VYXIZIHQSTZOQA-GZIVZEMBSA-N. The full InChI is InChI=1S/C24H20BrN/c1-3-8-22(4-2)26(23-9-6-5-7-10-23)24-17-13-20(14-18-24)19-11-15-21(25)16-12-19/h3-18H,1-2H2/b22-8+.
What are the key properties of 4-(4-bromophenyl)-N-[(3E)-hexa-1,3,5-trien-3-yl]-N-phenylaniline?
4-(4-bromophenyl)-N-[(3E)-hexa-1,3,5-trien-3-yl]-N-phenylaniline has a molecular weight of 402.34 g/mol, XLogP of 7.51, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-N-[(3E)-hexa-1,3,5-trien-3-yl]-N-phenylaniline is sourced from PubChem (CID 145273368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).