4-[(1E)-4,4-bis(4-methylphenyl)buta-1,3-dienyl]-N-tert-butylaniline

C28H31N — CID 23517911

IUPAC4-[(1E)-4,4-bis(4-methylphenyl)buta-1,3-dienyl]-N-tert-butylaniline
SMILESCc1ccc(C(=C/C=C/c2ccc(NC(C)(C)C)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C28H31N/c1-21-9-15-24(16-10-21)27(25-17-11-22(2)12-18-25)8-6-7-23-13-19-26(20-14-23)29-28(3,4)5/h6-20,29H,1-5H3/b7-6+
InChIKeyGLXQNFHMFSWVLV-VOTSOKGWSA-N
MW381.56 g/mol
LogP7.66
Rot. Bonds5

About 4-[(1E)-4,4-bis(4-methylphenyl)buta-1,3-dienyl]-N-tert-butylaniline

4-[(1E)-4,4-bis(4-methylphenyl)buta-1,3-dienyl]-N-tert-butylaniline (PubChem CID 23517911) has the molecular formula C28H31N and a molecular weight of 381.56 g/mol. Its IUPAC name is 4-[(1E)-4,4-bis(4-methylphenyl)buta-1,3-dienyl]-N-tert-butylaniline.

Molecular Properties

Compound Name4-[(1E)-4,4-bis(4-methylphenyl)buta-1,3-dienyl]-N-tert-butylaniline
PubChem CID23517911
Molecular FormulaC28H31N
Molecular Weight381.56 g/mol
Exact Mass381.25
IUPAC Name4-[(1E)-4,4-bis(4-methylphenyl)buta-1,3-dienyl]-N-tert-butylaniline
SMILESCc1ccc(C(=C/C=C/c2ccc(NC(C)(C)C)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C28H31N/c1-21-9-15-24(16-10-21)27(25-17-11-22(2)12-18-25)8-6-7-23-13-19-26(20-14-23)29-28(3,4)5/h6-20,29H,1-5H3/b7-6+
InChIKeyGLXQNFHMFSWVLV-VOTSOKGWSA-N
XLogP7.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.56
LogP ≤ 57.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(1E)-4,4-bis(4-methylphenyl)buta-1,3-dienyl]-N-tert-butylaniline?
The IUPAC name of 4-[(1E)-4,4-bis(4-methylphenyl)buta-1,3-dienyl]-N-tert-butylaniline (CID 23517911) is 4-[(1E)-4,4-bis(4-methylphenyl)buta-1,3-dienyl]-N-tert-butylaniline.
What is the SMILES notation for 4-[(1E)-4,4-bis(4-methylphenyl)buta-1,3-dienyl]-N-tert-butylaniline?
The canonical SMILES for 4-[(1E)-4,4-bis(4-methylphenyl)buta-1,3-dienyl]-N-tert-butylaniline is Cc1ccc(C(=C/C=C/c2ccc(NC(C)(C)C)cc2)c2ccc(C)cc2)cc1.
What is the InChIKey of 4-[(1E)-4,4-bis(4-methylphenyl)buta-1,3-dienyl]-N-tert-butylaniline?
The InChIKey is GLXQNFHMFSWVLV-VOTSOKGWSA-N. The full InChI is InChI=1S/C28H31N/c1-21-9-15-24(16-10-21)27(25-17-11-22(2)12-18-25)8-6-7-23-13-19-26(20-14-23)29-28(3,4)5/h6-20,29H,1-5H3/b7-6+.
What are the key properties of 4-[(1E)-4,4-bis(4-methylphenyl)buta-1,3-dienyl]-N-tert-butylaniline?
4-[(1E)-4,4-bis(4-methylphenyl)buta-1,3-dienyl]-N-tert-butylaniline has a molecular weight of 381.56 g/mol, XLogP of 7.66, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1E)-4,4-bis(4-methylphenyl)buta-1,3-dienyl]-N-tert-butylaniline is sourced from PubChem (CID 23517911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).