[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene;bis(yttrium)

C16H12Y2-2 — CID 59968237

IUPAC[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene;bis(yttrium)
SMILES[Y].[Y].[c-]1ccc(/C=C/C=C/c2cc[c-]cc2)cc1
InChIInChI=1S/C16H12.2Y/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16;;/h3-14H;;/q-2;;/b13-7+,14-8+;;
InChIKeyKFBMDZAPMQPBHH-SOUIOMOHSA-N
MW382.08 g/mol
LogP4.01
Rot. Bonds3

About [(1E,3E)-4-phenylbuta-1,3-dienyl]benzene;bis(yttrium)

[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene;bis(yttrium) (PubChem CID 59968237) has the molecular formula C16H12Y2-2 and a molecular weight of 382.08 g/mol. Its IUPAC name is [(1E,3E)-4-phenylbuta-1,3-dienyl]benzene;bis(yttrium).

Molecular Properties

Compound Name[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene;bis(yttrium)
PubChem CID59968237
Molecular FormulaC16H12Y2-2
Molecular Weight382.08 g/mol
Exact Mass381.91
IUPAC Name[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene;bis(yttrium)
SMILES[Y].[Y].[c-]1ccc(/C=C/C=C/c2cc[c-]cc2)cc1
InChIInChI=1S/C16H12.2Y/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16;;/h3-14H;;/q-2;;/b13-7+,14-8+;;
InChIKeyKFBMDZAPMQPBHH-SOUIOMOHSA-N
XLogP4.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.08
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-[(1E,3E,5E)-6-pyridin-4-ylhexa-1,3,5-trienyl]pyridine
CID 139077080
(1E,3E)-4-pyridin-4-ylbuta-1,3-dien-1-amine
CID 121226828
[(1Z,3Z)-4-phenylbuta-1,3-dienyl]benzene
CID 139179602
4-phenylbuta-1,3-dienylbenzene
CID 162273071
4-[(1E,3E)-5,5-dimethylhexa-1,3-dienyl]pyridine
CID 11586416
[(1Z,3E,5Z,7E)-8-phenylocta-1,3,5,7-tetraenyl]benzene
CID 124922219
3-(4-phenylbuta-1,3-dienyl)pyridine
CID 71359861
4-[(1E,3E)-4-(4-sulfanylphenyl)buta-1,3-dienyl]benzenethiol
CID 89070486
4-[(1E,3E)-4-[4-[(1E,3E)-4-(4-aminophenyl)buta-1,3-dienyl]phenyl]buta-1,3-dienyl]aniline
CID 18428969
1-fluoro-4-[(1E,3E)-4-(4-fluorophenyl)buta-1,3-dienyl]benzene
CID 12032378
(Z)-3-pyridin-4-ylprop-2-enal
CID 99864035
1-chloro-4-(4-chlorobuta-1,3-dienyl)benzene
CID 73211746

Frequently Asked Questions

What is the IUPAC name of [(1E,3E)-4-phenylbuta-1,3-dienyl]benzene;bis(yttrium)?
The IUPAC name of [(1E,3E)-4-phenylbuta-1,3-dienyl]benzene;bis(yttrium) (CID 59968237) is [(1E,3E)-4-phenylbuta-1,3-dienyl]benzene;bis(yttrium).
What is the SMILES notation for [(1E,3E)-4-phenylbuta-1,3-dienyl]benzene;bis(yttrium)?
The canonical SMILES for [(1E,3E)-4-phenylbuta-1,3-dienyl]benzene;bis(yttrium) is [Y].[Y].[c-]1ccc(/C=C/C=C/c2cc[c-]cc2)cc1.
What is the InChIKey of [(1E,3E)-4-phenylbuta-1,3-dienyl]benzene;bis(yttrium)?
The InChIKey is KFBMDZAPMQPBHH-SOUIOMOHSA-N. The full InChI is InChI=1S/C16H12.2Y/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16;;/h3-14H;;/q-2;;/b13-7+,14-8+;;.
What are the key properties of [(1E,3E)-4-phenylbuta-1,3-dienyl]benzene;bis(yttrium)?
[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene;bis(yttrium) has a molecular weight of 382.08 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E,3E)-4-phenylbuta-1,3-dienyl]benzene;bis(yttrium) is sourced from PubChem (CID 59968237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).