4-phenyl-N-[(1E)-4-phenylhexa-1,5-dienyl]aniline

C24H23N — CID 167285938

IUPAC4-phenyl-N-[(1E)-4-phenylhexa-1,5-dienyl]aniline
SMILESC=CC(C/C=C/Nc1ccc(-c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C24H23N/c1-2-20(21-10-5-3-6-11-21)14-9-19-25-24-17-15-23(16-18-24)22-12-7-4-8-13-22/h2-13,15-20,25H,1,14H2/b19-9+
InChIKeySOIWQEJOOFKFPS-DJKKODMXSA-N
MW325.46 g/mol
LogP6.64
Rot. Bonds7

About 4-phenyl-N-[(1E)-4-phenylhexa-1,5-dienyl]aniline

4-phenyl-N-[(1E)-4-phenylhexa-1,5-dienyl]aniline (PubChem CID 167285938) has the molecular formula C24H23N and a molecular weight of 325.46 g/mol. Its IUPAC name is 4-phenyl-N-[(1E)-4-phenylhexa-1,5-dienyl]aniline.

Molecular Properties

Compound Name4-phenyl-N-[(1E)-4-phenylhexa-1,5-dienyl]aniline
PubChem CID167285938
Molecular FormulaC24H23N
Molecular Weight325.46 g/mol
Exact Mass325.18
IUPAC Name4-phenyl-N-[(1E)-4-phenylhexa-1,5-dienyl]aniline
SMILESC=CC(C/C=C/Nc1ccc(-c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C24H23N/c1-2-20(21-10-5-3-6-11-21)14-9-19-25-24-17-15-23(16-18-24)22-12-7-4-8-13-22/h2-13,15-20,25H,1,14H2/b19-9+
InChIKeySOIWQEJOOFKFPS-DJKKODMXSA-N
XLogP6.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.46
LogP ≤ 56.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[(1E)-4-phenylhexa-1,5-dienyl]aniline?
The IUPAC name of 4-phenyl-N-[(1E)-4-phenylhexa-1,5-dienyl]aniline (CID 167285938) is 4-phenyl-N-[(1E)-4-phenylhexa-1,5-dienyl]aniline.
What is the SMILES notation for 4-phenyl-N-[(1E)-4-phenylhexa-1,5-dienyl]aniline?
The canonical SMILES for 4-phenyl-N-[(1E)-4-phenylhexa-1,5-dienyl]aniline is C=CC(C/C=C/Nc1ccc(-c2ccccc2)cc1)c1ccccc1.
What is the InChIKey of 4-phenyl-N-[(1E)-4-phenylhexa-1,5-dienyl]aniline?
The InChIKey is SOIWQEJOOFKFPS-DJKKODMXSA-N. The full InChI is InChI=1S/C24H23N/c1-2-20(21-10-5-3-6-11-21)14-9-19-25-24-17-15-23(16-18-24)22-12-7-4-8-13-22/h2-13,15-20,25H,1,14H2/b19-9+.
What are the key properties of 4-phenyl-N-[(1E)-4-phenylhexa-1,5-dienyl]aniline?
4-phenyl-N-[(1E)-4-phenylhexa-1,5-dienyl]aniline has a molecular weight of 325.46 g/mol, XLogP of 6.64, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[(1E)-4-phenylhexa-1,5-dienyl]aniline is sourced from PubChem (CID 167285938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).