1-phenyl-4-[(1Z,3E)-4-(4-phenylphenyl)buta-1,3-dienyl]benzene

C28H22 — CID 54609084

IUPAC1-phenyl-4-[(1Z,3E)-4-(4-phenylphenyl)buta-1,3-dienyl]benzene
SMILESC(=C\c1ccc(-c2ccccc2)cc1)\C=C\c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C28H22/c1-3-11-25(12-4-1)27-19-15-23(16-20-27)9-7-8-10-24-17-21-28(22-18-24)26-13-5-2-6-14-26/h1-22H/b9-7-,10-8+
InChIKeyFNGCNIQEQUNTCR-FKJILZIQSA-N
MW358.48 g/mol
LogP7.75
Rot. Bonds5

About 1-phenyl-4-[(1Z,3E)-4-(4-phenylphenyl)buta-1,3-dienyl]benzene

1-phenyl-4-[(1Z,3E)-4-(4-phenylphenyl)buta-1,3-dienyl]benzene (PubChem CID 54609084) has the molecular formula C28H22 and a molecular weight of 358.48 g/mol. Its IUPAC name is 1-phenyl-4-[(1Z,3E)-4-(4-phenylphenyl)buta-1,3-dienyl]benzene.

Molecular Properties

Compound Name1-phenyl-4-[(1Z,3E)-4-(4-phenylphenyl)buta-1,3-dienyl]benzene
PubChem CID54609084
Molecular FormulaC28H22
Molecular Weight358.48 g/mol
Exact Mass358.17
IUPAC Name1-phenyl-4-[(1Z,3E)-4-(4-phenylphenyl)buta-1,3-dienyl]benzene
SMILESC(=C\c1ccc(-c2ccccc2)cc1)\C=C\c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C28H22/c1-3-11-25(12-4-1)27-19-15-23(16-20-27)9-7-8-10-24-17-21-28(22-18-24)26-13-5-2-6-14-26/h1-22H/b9-7-,10-8+
InChIKeyFNGCNIQEQUNTCR-FKJILZIQSA-N
XLogP7.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.48
LogP ≤ 57.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-phenyl-4-[(1Z,3E)-4-(4-phenylphenyl)buta-1,3-dienyl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

azane;1,1'-biphenyl;[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene
CID 88641143
1-[(1E,3E,5E)-hepta-1,3,5-trienyl]-4-phenylbenzene
CID 175734121
[(1Z,3Z)-4-phenylbuta-1,3-dienyl]benzene
CID 139179602
4-phenylbuta-1,3-dienylbenzene
CID 162273071
[(1Z,3E,5Z,7E)-8-phenylocta-1,3,5,7-tetraenyl]benzene
CID 124922219
N-phenyl-N-[4-(4-phenylphenyl)phenyl]-4-[(E)-2-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]ethenyl]aniline
CID 59533083
N-phenyl-N-(4-phenylphenyl)-4-[(E)-2-[4-(N-(4-phenylphenyl)anilino)phenyl]ethenyl]aniline
CID 58715854
N,N-diphenyl-4-[4-[2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]aniline;N,N-diphenyl-4-[4-[2-(4-phenylphenyl)ethenyl]phenyl]aniline;4-methyl-N-(4-methylphenyl)-N-[4-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]buta-1,3-dienyl]phenyl]aniline;4-methyl-N-(4-methylphenyl)-N-[4-[4-(2-phenylethenyl)phenyl]phenyl]aniline
CID 160612024
4-[2-(4-phenylphenyl)ethenyl]phenol
CID 73178657
1,4-diphenylbenzene;1-phenyl-4-(4-phenylphenyl)benzene
CID 162098364
4-(4-phenylbuta-1,3-dienyl)benzaldehyde
CID 71360938
1-N-phenyl-4-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-1-N-[4-[(E)-2-phenylethenyl]phenyl]-4-N-[4-(N-[4-[(E)-2-phenylethenyl]phenyl]anilino)phenyl]benzene-1,4-diamine
CID 22983495

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-[(1Z,3E)-4-(4-phenylphenyl)buta-1,3-dienyl]benzene?
The IUPAC name of 1-phenyl-4-[(1Z,3E)-4-(4-phenylphenyl)buta-1,3-dienyl]benzene (CID 54609084) is 1-phenyl-4-[(1Z,3E)-4-(4-phenylphenyl)buta-1,3-dienyl]benzene.
What is the SMILES notation for 1-phenyl-4-[(1Z,3E)-4-(4-phenylphenyl)buta-1,3-dienyl]benzene?
The canonical SMILES for 1-phenyl-4-[(1Z,3E)-4-(4-phenylphenyl)buta-1,3-dienyl]benzene is C(=C\c1ccc(-c2ccccc2)cc1)\C=C\c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-phenyl-4-[(1Z,3E)-4-(4-phenylphenyl)buta-1,3-dienyl]benzene?
The InChIKey is FNGCNIQEQUNTCR-FKJILZIQSA-N. The full InChI is InChI=1S/C28H22/c1-3-11-25(12-4-1)27-19-15-23(16-20-27)9-7-8-10-24-17-21-28(22-18-24)26-13-5-2-6-14-26/h1-22H/b9-7-,10-8+.
What are the key properties of 1-phenyl-4-[(1Z,3E)-4-(4-phenylphenyl)buta-1,3-dienyl]benzene?
1-phenyl-4-[(1Z,3E)-4-(4-phenylphenyl)buta-1,3-dienyl]benzene has a molecular weight of 358.48 g/mol, XLogP of 7.75, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-[(1Z,3E)-4-(4-phenylphenyl)buta-1,3-dienyl]benzene is sourced from PubChem (CID 54609084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).