N-(4-cyclohexa-2,4-dien-1-ylphenyl)-4-[(1E)-hexa-1,5-dienyl]aniline

C24H25N — CID 167232097

IUPACN-(4-cyclohexa-2,4-dien-1-ylphenyl)-4-[(1E)-hexa-1,5-dienyl]aniline
SMILESC=CCC/C=C/c1ccc(Nc2ccc(C3C=CC=CC3)cc2)cc1
InChIInChI=1S/C24H25N/c1-2-3-4-6-9-20-12-16-23(17-13-20)25-24-18-14-22(15-19-24)21-10-7-5-8-11-21/h2,5-10,12-19,21,25H,1,3-4,11H2/b9-6+
InChIKeyROUGJIWJNMAAPP-RMKNXTFCSA-N
MW327.47 g/mol
LogP7.01
Rot. Bonds7

About N-(4-cyclohexa-2,4-dien-1-ylphenyl)-4-[(1E)-hexa-1,5-dienyl]aniline

N-(4-cyclohexa-2,4-dien-1-ylphenyl)-4-[(1E)-hexa-1,5-dienyl]aniline (PubChem CID 167232097) has the molecular formula C24H25N and a molecular weight of 327.47 g/mol. Its IUPAC name is N-(4-cyclohexa-2,4-dien-1-ylphenyl)-4-[(1E)-hexa-1,5-dienyl]aniline.

Molecular Properties

Compound NameN-(4-cyclohexa-2,4-dien-1-ylphenyl)-4-[(1E)-hexa-1,5-dienyl]aniline
PubChem CID167232097
Molecular FormulaC24H25N
Molecular Weight327.47 g/mol
Exact Mass327.20
IUPAC NameN-(4-cyclohexa-2,4-dien-1-ylphenyl)-4-[(1E)-hexa-1,5-dienyl]aniline
SMILESC=CCC/C=C/c1ccc(Nc2ccc(C3C=CC=CC3)cc2)cc1
InChIInChI=1S/C24H25N/c1-2-3-4-6-9-20-12-16-23(17-13-20)25-24-18-14-22(15-19-24)21-10-7-5-8-11-21/h2,5-10,12-19,21,25H,1,3-4,11H2/b9-6+
InChIKeyROUGJIWJNMAAPP-RMKNXTFCSA-N
XLogP7.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.47
LogP ≤ 57.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyclohexa-2,4-dien-1-ylphenyl)-4-[(1E)-hexa-1,5-dienyl]aniline?
The IUPAC name of N-(4-cyclohexa-2,4-dien-1-ylphenyl)-4-[(1E)-hexa-1,5-dienyl]aniline (CID 167232097) is N-(4-cyclohexa-2,4-dien-1-ylphenyl)-4-[(1E)-hexa-1,5-dienyl]aniline.
What is the SMILES notation for N-(4-cyclohexa-2,4-dien-1-ylphenyl)-4-[(1E)-hexa-1,5-dienyl]aniline?
The canonical SMILES for N-(4-cyclohexa-2,4-dien-1-ylphenyl)-4-[(1E)-hexa-1,5-dienyl]aniline is C=CCC/C=C/c1ccc(Nc2ccc(C3C=CC=CC3)cc2)cc1.
What is the InChIKey of N-(4-cyclohexa-2,4-dien-1-ylphenyl)-4-[(1E)-hexa-1,5-dienyl]aniline?
The InChIKey is ROUGJIWJNMAAPP-RMKNXTFCSA-N. The full InChI is InChI=1S/C24H25N/c1-2-3-4-6-9-20-12-16-23(17-13-20)25-24-18-14-22(15-19-24)21-10-7-5-8-11-21/h2,5-10,12-19,21,25H,1,3-4,11H2/b9-6+.
What are the key properties of N-(4-cyclohexa-2,4-dien-1-ylphenyl)-4-[(1E)-hexa-1,5-dienyl]aniline?
N-(4-cyclohexa-2,4-dien-1-ylphenyl)-4-[(1E)-hexa-1,5-dienyl]aniline has a molecular weight of 327.47 g/mol, XLogP of 7.01, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclohexa-2,4-dien-1-ylphenyl)-4-[(1E)-hexa-1,5-dienyl]aniline is sourced from PubChem (CID 167232097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).