[(5E,7E,9E,11E)-2-phenyltrideca-1,5,7,9,11-pentaen-4-yl]benzene

C25H26 — CID 140938349

IUPAC[(5E,7E,9E,11E)-2-phenyltrideca-1,5,7,9,11-pentaen-4-yl]benzene
SMILESC=C(CC(/C=C/C=C/C=C/C=C/C)c1ccccc1)c1ccccc1
InChIInChI=1S/C25H26/c1-3-4-5-6-7-8-11-20-25(24-18-14-10-15-19-24)21-22(2)23-16-12-9-13-17-23/h3-20,25H,2,21H2,1H3/b4-3+,6-5+,8-7+,20-11+
InChIKeyAMGKTTSGPKJRFU-AXBSCUGRSA-N
MW326.48 g/mol
LogP7.12
Rot. Bonds8

About [(5E,7E,9E,11E)-2-phenyltrideca-1,5,7,9,11-pentaen-4-yl]benzene

[(5E,7E,9E,11E)-2-phenyltrideca-1,5,7,9,11-pentaen-4-yl]benzene (PubChem CID 140938349) has the molecular formula C25H26 and a molecular weight of 326.48 g/mol. Its IUPAC name is [(5E,7E,9E,11E)-2-phenyltrideca-1,5,7,9,11-pentaen-4-yl]benzene.

Molecular Properties

Compound Name[(5E,7E,9E,11E)-2-phenyltrideca-1,5,7,9,11-pentaen-4-yl]benzene
PubChem CID140938349
Molecular FormulaC25H26
Molecular Weight326.48 g/mol
Exact Mass326.20
IUPAC Name[(5E,7E,9E,11E)-2-phenyltrideca-1,5,7,9,11-pentaen-4-yl]benzene
SMILESC=C(CC(/C=C/C=C/C=C/C=C/C)c1ccccc1)c1ccccc1
InChIInChI=1S/C25H26/c1-3-4-5-6-7-8-11-20-25(24-18-14-10-15-19-24)21-22(2)23-16-12-9-13-17-23/h3-20,25H,2,21H2,1H3/b4-3+,6-5+,8-7+,20-11+
InChIKeyAMGKTTSGPKJRFU-AXBSCUGRSA-N
XLogP7.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.48
LogP ≤ 57.12
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

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CID 129060443

Frequently Asked Questions

What is the IUPAC name of [(5E,7E,9E,11E)-2-phenyltrideca-1,5,7,9,11-pentaen-4-yl]benzene?
The IUPAC name of [(5E,7E,9E,11E)-2-phenyltrideca-1,5,7,9,11-pentaen-4-yl]benzene (CID 140938349) is [(5E,7E,9E,11E)-2-phenyltrideca-1,5,7,9,11-pentaen-4-yl]benzene.
What is the SMILES notation for [(5E,7E,9E,11E)-2-phenyltrideca-1,5,7,9,11-pentaen-4-yl]benzene?
The canonical SMILES for [(5E,7E,9E,11E)-2-phenyltrideca-1,5,7,9,11-pentaen-4-yl]benzene is C=C(CC(/C=C/C=C/C=C/C=C/C)c1ccccc1)c1ccccc1.
What is the InChIKey of [(5E,7E,9E,11E)-2-phenyltrideca-1,5,7,9,11-pentaen-4-yl]benzene?
The InChIKey is AMGKTTSGPKJRFU-AXBSCUGRSA-N. The full InChI is InChI=1S/C25H26/c1-3-4-5-6-7-8-11-20-25(24-18-14-10-15-19-24)21-22(2)23-16-12-9-13-17-23/h3-20,25H,2,21H2,1H3/b4-3+,6-5+,8-7+,20-11+.
What are the key properties of [(5E,7E,9E,11E)-2-phenyltrideca-1,5,7,9,11-pentaen-4-yl]benzene?
[(5E,7E,9E,11E)-2-phenyltrideca-1,5,7,9,11-pentaen-4-yl]benzene has a molecular weight of 326.48 g/mol, XLogP of 7.12, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(5E,7E,9E,11E)-2-phenyltrideca-1,5,7,9,11-pentaen-4-yl]benzene is sourced from PubChem (CID 140938349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).