4-[(1E,3E)-4-[4-[(1E,3E)-4-(4-aminophenyl)buta-1,3-dienyl]phenyl]buta-1,3-dienyl]aniline

C26H24N2 — CID 18428969

IUPAC4-[(1E,3E)-4-[4-[(1E,3E)-4-(4-aminophenyl)buta-1,3-dienyl]phenyl]buta-1,3-dienyl]aniline
SMILESNc1ccc(/C=C/C=C/c2ccc(/C=C/C=C/c3ccc(N)cc3)cc2)cc1
InChIInChI=1S/C26H24N2/c27-25-17-13-23(14-18-25)7-3-1-5-21-9-11-22(12-10-21)6-2-4-8-24-15-19-26(28)20-16-24/h1-20H,27-28H2/b5-1+,6-2+,7-3+,8-4+
InChIKeyCJNWJJJRPFOJQS-VYUKIJHXSA-N
MW364.49 g/mol
LogP6.30
Rot. Bonds6

About 4-[(1E,3E)-4-[4-[(1E,3E)-4-(4-aminophenyl)buta-1,3-dienyl]phenyl]buta-1,3-dienyl]aniline

4-[(1E,3E)-4-[4-[(1E,3E)-4-(4-aminophenyl)buta-1,3-dienyl]phenyl]buta-1,3-dienyl]aniline (PubChem CID 18428969) has the molecular formula C26H24N2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 4-[(1E,3E)-4-[4-[(1E,3E)-4-(4-aminophenyl)buta-1,3-dienyl]phenyl]buta-1,3-dienyl]aniline.

Molecular Properties

Compound Name4-[(1E,3E)-4-[4-[(1E,3E)-4-(4-aminophenyl)buta-1,3-dienyl]phenyl]buta-1,3-dienyl]aniline
PubChem CID18428969
Molecular FormulaC26H24N2
Molecular Weight364.49 g/mol
Exact Mass364.19
IUPAC Name4-[(1E,3E)-4-[4-[(1E,3E)-4-(4-aminophenyl)buta-1,3-dienyl]phenyl]buta-1,3-dienyl]aniline
SMILESNc1ccc(/C=C/C=C/c2ccc(/C=C/C=C/c3ccc(N)cc3)cc2)cc1
InChIInChI=1S/C26H24N2/c27-25-17-13-23(14-18-25)7-3-1-5-21-9-11-22(12-10-21)6-2-4-8-24-15-19-26(28)20-16-24/h1-20H,27-28H2/b5-1+,6-2+,7-3+,8-4+
InChIKeyCJNWJJJRPFOJQS-VYUKIJHXSA-N
XLogP6.30
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.49
LogP ≤ 56.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(1E,3E)-4-(4-methylphenyl)buta-1,3-dienyl]aniline
CID 89165666
4-[(1E,3E)-4-(4-aminophenyl)buta-1,3-dienyl]benzenethiol
CID 89165670
4-buta-1,3-dienylaniline
CID 59878075
4-[4-(4-aminophenyl)buta-1,3-dienyl]benzoic acid
CID 142780998
4-(2-phenylethenyl)aniline
CID 13265
4-[2-(4-aminophenyl)ethenyl]aniline;ethanamine
CID 73474151
4-[(E)-2-(4-bromophenyl)ethenyl]aniline
CID 165349864
4-[(E)-prop-1-enyl]aniline;hydrochloride
CID 119031382
4-[(Z)-2-(4-aminophenyl)ethenyl]phenol
CID 25021233
(3E,5E)-6-(4-aminophenyl)-1-chlorohexa-3,5-dien-2-one
CID 6065980
4-[(E)-2-(methylamino)ethenyl]aniline
CID 89079211
4-[(1E)-buta-1,3-dienyl]aniline;4-ethylaniline
CID 144942639

Frequently Asked Questions

What is the IUPAC name of 4-[(1E,3E)-4-[4-[(1E,3E)-4-(4-aminophenyl)buta-1,3-dienyl]phenyl]buta-1,3-dienyl]aniline?
The IUPAC name of 4-[(1E,3E)-4-[4-[(1E,3E)-4-(4-aminophenyl)buta-1,3-dienyl]phenyl]buta-1,3-dienyl]aniline (CID 18428969) is 4-[(1E,3E)-4-[4-[(1E,3E)-4-(4-aminophenyl)buta-1,3-dienyl]phenyl]buta-1,3-dienyl]aniline.
What is the SMILES notation for 4-[(1E,3E)-4-[4-[(1E,3E)-4-(4-aminophenyl)buta-1,3-dienyl]phenyl]buta-1,3-dienyl]aniline?
The canonical SMILES for 4-[(1E,3E)-4-[4-[(1E,3E)-4-(4-aminophenyl)buta-1,3-dienyl]phenyl]buta-1,3-dienyl]aniline is Nc1ccc(/C=C/C=C/c2ccc(/C=C/C=C/c3ccc(N)cc3)cc2)cc1.
What is the InChIKey of 4-[(1E,3E)-4-[4-[(1E,3E)-4-(4-aminophenyl)buta-1,3-dienyl]phenyl]buta-1,3-dienyl]aniline?
The InChIKey is CJNWJJJRPFOJQS-VYUKIJHXSA-N. The full InChI is InChI=1S/C26H24N2/c27-25-17-13-23(14-18-25)7-3-1-5-21-9-11-22(12-10-21)6-2-4-8-24-15-19-26(28)20-16-24/h1-20H,27-28H2/b5-1+,6-2+,7-3+,8-4+.
What are the key properties of 4-[(1E,3E)-4-[4-[(1E,3E)-4-(4-aminophenyl)buta-1,3-dienyl]phenyl]buta-1,3-dienyl]aniline?
4-[(1E,3E)-4-[4-[(1E,3E)-4-(4-aminophenyl)buta-1,3-dienyl]phenyl]buta-1,3-dienyl]aniline has a molecular weight of 364.49 g/mol, XLogP of 6.30, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1E,3E)-4-[4-[(1E,3E)-4-(4-aminophenyl)buta-1,3-dienyl]phenyl]buta-1,3-dienyl]aniline is sourced from PubChem (CID 18428969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).