4-phenylbuta-1,3-dienylbenzene

C32H28 — CID 162273071

IUPAC4-phenylbuta-1,3-dienylbenzene
SMILESC(C=Cc1ccccc1)=Cc1ccccc1.C(C=Cc1ccccc1)=Cc1ccccc1
InChIInChI=1S/2C16H14/c2*1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16/h2*1-14H
InChIKeyPMKUFYWSCDYTRM-UHFFFAOYSA-N
MW412.58 g/mol
LogP8.83
Rot. Bonds6

About 4-phenylbuta-1,3-dienylbenzene

4-phenylbuta-1,3-dienylbenzene (PubChem CID 162273071) has the molecular formula C32H28 and a molecular weight of 412.58 g/mol. Its IUPAC name is 4-phenylbuta-1,3-dienylbenzene.

Molecular Properties

Compound Name4-phenylbuta-1,3-dienylbenzene
PubChem CID162273071
Molecular FormulaC32H28
Molecular Weight412.58 g/mol
Exact Mass412.22
IUPAC Name4-phenylbuta-1,3-dienylbenzene
SMILESC(C=Cc1ccccc1)=Cc1ccccc1.C(C=Cc1ccccc1)=Cc1ccccc1
InChIInChI=1S/2C16H14/c2*1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16/h2*1-14H
InChIKeyPMKUFYWSCDYTRM-UHFFFAOYSA-N
XLogP8.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.58
LogP ≤ 58.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[(1Z,3Z)-4-phenylbuta-1,3-dienyl]benzene
CID 139179602
[(1Z,3E,5Z,7E)-8-phenylocta-1,3,5,7-tetraenyl]benzene
CID 124922219
azane;1,1'-biphenyl;[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene
CID 88641143
(1Z,3Z)-4-phenylbuta-1,3-diene-1-thiol
CID 11982546
[(1E,3Z)-4-bromobuta-1,3-dienyl]benzene
CID 11708291
4-(4-phenylbuta-1,3-dienyl)benzaldehyde
CID 71360938
[(1E,3Z)-hexa-1,3,5-trienyl]benzene
CID 12714123
1-phenyl-4-[(1Z,3E)-4-(4-phenylphenyl)buta-1,3-dienyl]benzene
CID 54609084
CID 11087023
CID 11087023
CID 23124540
CID 23124540
CID 70567885
CID 70567885
CID 70569152
CID 70569152

Frequently Asked Questions

What is the IUPAC name of 4-phenylbuta-1,3-dienylbenzene?
The IUPAC name of 4-phenylbuta-1,3-dienylbenzene (CID 162273071) is 4-phenylbuta-1,3-dienylbenzene.
What is the SMILES notation for 4-phenylbuta-1,3-dienylbenzene?
The canonical SMILES for 4-phenylbuta-1,3-dienylbenzene is C(C=Cc1ccccc1)=Cc1ccccc1.C(C=Cc1ccccc1)=Cc1ccccc1.
What is the InChIKey of 4-phenylbuta-1,3-dienylbenzene?
The InChIKey is PMKUFYWSCDYTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H14/c2*1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16/h2*1-14H.
What are the key properties of 4-phenylbuta-1,3-dienylbenzene?
4-phenylbuta-1,3-dienylbenzene has a molecular weight of 412.58 g/mol, XLogP of 8.83, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylbuta-1,3-dienylbenzene is sourced from PubChem (CID 162273071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).