[(5E)-3,8-bis(ethenyl)-7-phenyldeca-1,3,5,7,9-pentaen-4-yl]benzene

C26H24 — CID 138972060

IUPAC[(5E)-3,8-bis(ethenyl)-7-phenyldeca-1,3,5,7,9-pentaen-4-yl]benzene
SMILESC=CC(C=C)=C(/C=C/C(=C(C=C)C=C)c1ccccc1)c1ccccc1
InChIInChI=1S/C26H24/c1-5-21(6-2)25(23-15-11-9-12-16-23)19-20-26(22(7-3)8-4)24-17-13-10-14-18-24/h5-20H,1-4H2/b20-19+
InChIKeyUFLJZDRNYZTAGQ-FMQUCBEESA-N
MW336.48 g/mol
LogP7.19
Rot. Bonds8

About [(5E)-3,8-bis(ethenyl)-7-phenyldeca-1,3,5,7,9-pentaen-4-yl]benzene

[(5E)-3,8-bis(ethenyl)-7-phenyldeca-1,3,5,7,9-pentaen-4-yl]benzene (PubChem CID 138972060) has the molecular formula C26H24 and a molecular weight of 336.48 g/mol. Its IUPAC name is [(5E)-3,8-bis(ethenyl)-7-phenyldeca-1,3,5,7,9-pentaen-4-yl]benzene.

Molecular Properties

Compound Name[(5E)-3,8-bis(ethenyl)-7-phenyldeca-1,3,5,7,9-pentaen-4-yl]benzene
PubChem CID138972060
Molecular FormulaC26H24
Molecular Weight336.48 g/mol
Exact Mass336.19
IUPAC Name[(5E)-3,8-bis(ethenyl)-7-phenyldeca-1,3,5,7,9-pentaen-4-yl]benzene
SMILESC=CC(C=C)=C(/C=C/C(=C(C=C)C=C)c1ccccc1)c1ccccc1
InChIInChI=1S/C26H24/c1-5-21(6-2)25(23-15-11-9-12-16-23)19-20-26(22(7-3)8-4)24-17-13-10-14-18-24/h5-20H,1-4H2/b20-19+
InChIKeyUFLJZDRNYZTAGQ-FMQUCBEESA-N
XLogP7.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.48
LogP ≤ 57.19
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

2-hydroxy-3-phenylpenta-2,4-dienoic acid
CID 163782499
2-phenylpenta-2,4-dien-3-ylbenzene
CID 175534652
ethane;[(3E)-4-methylhexa-1,3,5-trien-3-yl]benzene
CID 143435257
1,2-diphenylbuta-1,3-dienylphosphonic acid
CID 175137744
2-phenylprop-2-enoic acid;prop-2-enoic acid
CID 70022748
(Z)-2,3-diphenylbut-2-enedithial
CID 101175637
1,4,6-triphenylhexa-1,3,5-trien-3-ylbenzene
CID 54123329
buta-1,3-diene;buta-1,3-dien-2-ylbenzene
CID 159301078
4-(4-phenylhexa-1,3,5-trien-3-yl)benzenesulfonic acid
CID 141082862
diethyl (2E,6E,10E)-4,9-bis[(E)-3-ethoxy-3-oxoprop-1-enyl]-5,8-diphenyldodeca-2,4,6,8,10-pentaenedioate
CID 138972057
1-(3-ethenylhepta-1,3,5-trien-4-yl)-2-methylbenzene
CID 123213362
3-bromo-2-phenylpenta-2,4-dienoic acid
CID 154309812

Frequently Asked Questions

What is the IUPAC name of [(5E)-3,8-bis(ethenyl)-7-phenyldeca-1,3,5,7,9-pentaen-4-yl]benzene?
The IUPAC name of [(5E)-3,8-bis(ethenyl)-7-phenyldeca-1,3,5,7,9-pentaen-4-yl]benzene (CID 138972060) is [(5E)-3,8-bis(ethenyl)-7-phenyldeca-1,3,5,7,9-pentaen-4-yl]benzene.
What is the SMILES notation for [(5E)-3,8-bis(ethenyl)-7-phenyldeca-1,3,5,7,9-pentaen-4-yl]benzene?
The canonical SMILES for [(5E)-3,8-bis(ethenyl)-7-phenyldeca-1,3,5,7,9-pentaen-4-yl]benzene is C=CC(C=C)=C(/C=C/C(=C(C=C)C=C)c1ccccc1)c1ccccc1.
What is the InChIKey of [(5E)-3,8-bis(ethenyl)-7-phenyldeca-1,3,5,7,9-pentaen-4-yl]benzene?
The InChIKey is UFLJZDRNYZTAGQ-FMQUCBEESA-N. The full InChI is InChI=1S/C26H24/c1-5-21(6-2)25(23-15-11-9-12-16-23)19-20-26(22(7-3)8-4)24-17-13-10-14-18-24/h5-20H,1-4H2/b20-19+.
What are the key properties of [(5E)-3,8-bis(ethenyl)-7-phenyldeca-1,3,5,7,9-pentaen-4-yl]benzene?
[(5E)-3,8-bis(ethenyl)-7-phenyldeca-1,3,5,7,9-pentaen-4-yl]benzene has a molecular weight of 336.48 g/mol, XLogP of 7.19, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(5E)-3,8-bis(ethenyl)-7-phenyldeca-1,3,5,7,9-pentaen-4-yl]benzene is sourced from PubChem (CID 138972060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).