1-hexoxy-4-[(E)-2-[4-[(E)-2-[4-[4-[(E)-2-[4-[(E)-2-(4-hexoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]ethenyl]benzene

C56H58O2 — CID 101334756

About 1-hexoxy-4-[(E)-2-[4-[(E)-2-[4-[4-[(E)-2-[4-[(E)-2-(4-hexoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]ethenyl]benzene

1-hexoxy-4-[(E)-2-[4-[(E)-2-[4-[4-[(E)-2-[4-[(E)-2-(4-hexoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]ethenyl]benzene (PubChem CID 101334756) has the molecular formula C56H58O2 and a molecular weight of 763.08 g/mol. Its IUPAC name is 1-hexoxy-4-[(E)-2-[4-[(E)-2-[4-[4-[(E)-2-[4-[(E)-2-(4-hexoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]ethenyl]benzene.

Molecular Properties

• Compound Name: 1-hexoxy-4-[(E)-2-[4-[(E)-2-[4-[4-[(E)-2-[4-[(E)-2-(4-hexoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
• PubChem CID: 101334756
• Molecular Formula: C56H58O2
• Molecular Weight: 763.08 g/mol
• Exact Mass: 762.44
• IUPAC Name: 1-hexoxy-4-[(E)-2-[4-[(E)-2-[4-[4-[(E)-2-[4-[(E)-2-(4-hexoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
• SMILES: CCCCCCOc1ccc(/C=C/c2ccc(/C=C/c3ccc(-c4ccc(/C=C/c5ccc(/C=C/c6ccc(OCCCCCC)cc6)cc5)cc4)cc3)cc2)cc1
• InChI: InChI=1S/C56H58O2/c1-3-5-7-9-43-57-55-39-31-51(32-40-55)25-21-47-15-11-45(12-16-47)19-23-49-27-35-53(36-28-49)54-37-29-50(30-38-54)24-20-46-13-17-48(18-14-46)22-26-52-33-41-56(42-34-52)58-44-10-8-6-4-2/h11-42H,3-10,43-44H2,1-2H3/b23-19+,24-20+,25-21+,26-22+
• InChIKey: CEBFWLAFOVOGDZ-IQDOJDJLSA-N
• XLogP: 15.95
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 21
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	763.08
LogP ≤ 5	15.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-hexoxy-4-[(E)-2-[4-[(E)-2-[4-[4-[(E)-2-[4-[(E)-2-(4-hexoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]ethenyl]benzene?

The IUPAC name of 1-hexoxy-4-[(E)-2-[4-[(E)-2-[4-[4-[(E)-2-[4-[(E)-2-(4-hexoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]ethenyl]benzene (CID 101334756) is 1-hexoxy-4-[(E)-2-[4-[(E)-2-[4-[4-[(E)-2-[4-[(E)-2-(4-hexoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]ethenyl]benzene.

What is the SMILES notation for 1-hexoxy-4-[(E)-2-[4-[(E)-2-[4-[4-[(E)-2-[4-[(E)-2-(4-hexoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]ethenyl]benzene?

The canonical SMILES for 1-hexoxy-4-[(E)-2-[4-[(E)-2-[4-[4-[(E)-2-[4-[(E)-2-(4-hexoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]ethenyl]benzene is CCCCCCOc1ccc(/C=C/c2ccc(/C=C/c3ccc(-c4ccc(/C=C/c5ccc(/C=C/c6ccc(OCCCCCC)cc6)cc5)cc4)cc3)cc2)cc1.

What is the InChIKey of 1-hexoxy-4-[(E)-2-[4-[(E)-2-[4-[4-[(E)-2-[4-[(E)-2-(4-hexoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]ethenyl]benzene?

The InChIKey is CEBFWLAFOVOGDZ-IQDOJDJLSA-N. The full InChI is InChI=1S/C56H58O2/c1-3-5-7-9-43-57-55-39-31-51(32-40-55)25-21-47-15-11-45(12-16-47)19-23-49-27-35-53(36-28-49)54-37-29-50(30-38-54)24-20-46-13-17-48(18-14-46)22-26-52-33-41-56(42-34-52)58-44-10-8-6-4-2/h11-42H,3-10,43-44H2,1-2H3/b23-19+,24-20+,25-21+,26-22+.

What are the key properties of 1-hexoxy-4-[(E)-2-[4-[(E)-2-[4-[4-[(E)-2-[4-[(E)-2-(4-hexoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]ethenyl]benzene?

1-hexoxy-4-[(E)-2-[4-[(E)-2-[4-[4-[(E)-2-[4-[(E)-2-(4-hexoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]ethenyl]benzene has a molecular weight of 763.08 g/mol, XLogP of 15.95, 21 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-hexoxy-4-[(E)-2-[4-[(E)-2-[4-[4-[(E)-2-[4-[(E)-2-(4-hexoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]ethenyl]benzene is sourced from PubChem (CID 101334756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).