4-[(2Z,4E)-2-[(Z)-2-(4-phenylphenyl)ethenyl]hexa-2,4-dienyl]aniline

C26H25N — CID 146475221

IUPAC4-[(2Z,4E)-2-[(Z)-2-(4-phenylphenyl)ethenyl]hexa-2,4-dienyl]aniline
SMILESC/C=C/C=C(\C=C/c1ccc(-c2ccccc2)cc1)Cc1ccc(N)cc1
InChIInChI=1S/C26H25N/c1-2-3-7-22(20-23-14-18-26(27)19-15-23)11-10-21-12-16-25(17-13-21)24-8-5-4-6-9-24/h2-19H,20,27H2,1H3/b3-2+,11-10-,22-7+
InChIKeyHUIPRVHGCTWPGN-VOURFJIXSA-N
MW351.49 g/mol
LogP6.69
Rot. Bonds6

About 4-[(2Z,4E)-2-[(Z)-2-(4-phenylphenyl)ethenyl]hexa-2,4-dienyl]aniline

4-[(2Z,4E)-2-[(Z)-2-(4-phenylphenyl)ethenyl]hexa-2,4-dienyl]aniline (PubChem CID 146475221) has the molecular formula C26H25N and a molecular weight of 351.49 g/mol. Its IUPAC name is 4-[(2Z,4E)-2-[(Z)-2-(4-phenylphenyl)ethenyl]hexa-2,4-dienyl]aniline.

Molecular Properties

Compound Name4-[(2Z,4E)-2-[(Z)-2-(4-phenylphenyl)ethenyl]hexa-2,4-dienyl]aniline
PubChem CID146475221
Molecular FormulaC26H25N
Molecular Weight351.49 g/mol
Exact Mass351.20
IUPAC Name4-[(2Z,4E)-2-[(Z)-2-(4-phenylphenyl)ethenyl]hexa-2,4-dienyl]aniline
SMILESC/C=C/C=C(\C=C/c1ccc(-c2ccccc2)cc1)Cc1ccc(N)cc1
InChIInChI=1S/C26H25N/c1-2-3-7-22(20-23-14-18-26(27)19-15-23)11-10-21-12-16-25(17-13-21)24-8-5-4-6-9-24/h2-19H,20,27H2,1H3/b3-2+,11-10-,22-7+
InChIKeyHUIPRVHGCTWPGN-VOURFJIXSA-N
XLogP6.69
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.49
LogP ≤ 56.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(2Z,4E)-2-[(Z)-2-(4-phenylphenyl)ethenyl]hexa-2,4-dienyl]aniline?
The IUPAC name of 4-[(2Z,4E)-2-[(Z)-2-(4-phenylphenyl)ethenyl]hexa-2,4-dienyl]aniline (CID 146475221) is 4-[(2Z,4E)-2-[(Z)-2-(4-phenylphenyl)ethenyl]hexa-2,4-dienyl]aniline.
What is the SMILES notation for 4-[(2Z,4E)-2-[(Z)-2-(4-phenylphenyl)ethenyl]hexa-2,4-dienyl]aniline?
The canonical SMILES for 4-[(2Z,4E)-2-[(Z)-2-(4-phenylphenyl)ethenyl]hexa-2,4-dienyl]aniline is C/C=C/C=C(\C=C/c1ccc(-c2ccccc2)cc1)Cc1ccc(N)cc1.
What is the InChIKey of 4-[(2Z,4E)-2-[(Z)-2-(4-phenylphenyl)ethenyl]hexa-2,4-dienyl]aniline?
The InChIKey is HUIPRVHGCTWPGN-VOURFJIXSA-N. The full InChI is InChI=1S/C26H25N/c1-2-3-7-22(20-23-14-18-26(27)19-15-23)11-10-21-12-16-25(17-13-21)24-8-5-4-6-9-24/h2-19H,20,27H2,1H3/b3-2+,11-10-,22-7+.
What are the key properties of 4-[(2Z,4E)-2-[(Z)-2-(4-phenylphenyl)ethenyl]hexa-2,4-dienyl]aniline?
4-[(2Z,4E)-2-[(Z)-2-(4-phenylphenyl)ethenyl]hexa-2,4-dienyl]aniline has a molecular weight of 351.49 g/mol, XLogP of 6.69, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2Z,4E)-2-[(Z)-2-(4-phenylphenyl)ethenyl]hexa-2,4-dienyl]aniline is sourced from PubChem (CID 146475221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).