[(1Z,3Z)-4-phenylbuta-1,3-dienyl]benzene

C64H56 — CID 139179602

IUPAC[(1Z,3Z)-4-phenylbuta-1,3-dienyl]benzene
SMILESC(/C=C\c1ccccc1)=C/c1ccccc1.C(/C=C\c1ccccc1)=C/c1ccccc1.C(/C=C\c1ccccc1)=C/c1ccccc1.C(/C=C\c1ccccc1)=C/c1ccccc1
InChIInChI=1S/4C16H14/c4*1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16/h4*1-14H/b4*13-7-,14-8-
InChIKeyYYJYNPXHPWCOME-UVNFJOMWSA-N
MW825.15 g/mol
LogP17.65
Rot. Bonds12

About [(1Z,3Z)-4-phenylbuta-1,3-dienyl]benzene

[(1Z,3Z)-4-phenylbuta-1,3-dienyl]benzene (PubChem CID 139179602) has the molecular formula C64H56 and a molecular weight of 825.15 g/mol. Its IUPAC name is [(1Z,3Z)-4-phenylbuta-1,3-dienyl]benzene.

Molecular Properties

Compound Name[(1Z,3Z)-4-phenylbuta-1,3-dienyl]benzene
PubChem CID139179602
Molecular FormulaC64H56
Molecular Weight825.15 g/mol
Exact Mass824.44
IUPAC Name[(1Z,3Z)-4-phenylbuta-1,3-dienyl]benzene
SMILESC(/C=C\c1ccccc1)=C/c1ccccc1.C(/C=C\c1ccccc1)=C/c1ccccc1.C(/C=C\c1ccccc1)=C/c1ccccc1.C(/C=C\c1ccccc1)=C/c1ccccc1
InChIInChI=1S/4C16H14/c4*1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16/h4*1-14H/b4*13-7-,14-8-
InChIKeyYYJYNPXHPWCOME-UVNFJOMWSA-N
XLogP17.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500825.15
LogP ≤ 517.65
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

4-phenylbuta-1,3-dienylbenzene
CID 162273071
[(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 [(1Z,3Z)-4-phenylbuta-1,3-dienyl]benzene?
The IUPAC name of [(1Z,3Z)-4-phenylbuta-1,3-dienyl]benzene (CID 139179602) is [(1Z,3Z)-4-phenylbuta-1,3-dienyl]benzene.
What is the SMILES notation for [(1Z,3Z)-4-phenylbuta-1,3-dienyl]benzene?
The canonical SMILES for [(1Z,3Z)-4-phenylbuta-1,3-dienyl]benzene is C(/C=C\c1ccccc1)=C/c1ccccc1.C(/C=C\c1ccccc1)=C/c1ccccc1.C(/C=C\c1ccccc1)=C/c1ccccc1.C(/C=C\c1ccccc1)=C/c1ccccc1.
What is the InChIKey of [(1Z,3Z)-4-phenylbuta-1,3-dienyl]benzene?
The InChIKey is YYJYNPXHPWCOME-UVNFJOMWSA-N. The full InChI is InChI=1S/4C16H14/c4*1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16/h4*1-14H/b4*13-7-,14-8-.
What are the key properties of [(1Z,3Z)-4-phenylbuta-1,3-dienyl]benzene?
[(1Z,3Z)-4-phenylbuta-1,3-dienyl]benzene has a molecular weight of 825.15 g/mol, XLogP of 17.65, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1Z,3Z)-4-phenylbuta-1,3-dienyl]benzene is sourced from PubChem (CID 139179602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).