6-methoxy-2-[4-[(E)-2-[4-[2-[2-[4-[(E)-2-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]ethenyl]phenoxy]ethoxy]ethoxy]phenyl]ethenyl]phenyl]-1,3-benzothiazole

C48H40N2O5S2 — CID 142764171

About 6-methoxy-2-[4-[(E)-2-[4-[2-[2-[4-[(E)-2-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]ethenyl]phenoxy]ethoxy]ethoxy]phenyl]ethenyl]phenyl]-1,3-benzothiazole

6-methoxy-2-[4-[(E)-2-[4-[2-[2-[4-[(E)-2-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]ethenyl]phenoxy]ethoxy]ethoxy]phenyl]ethenyl]phenyl]-1,3-benzothiazole (PubChem CID 142764171) has the molecular formula C48H40N2O5S2 and a molecular weight of 788.99 g/mol. Its IUPAC name is 6-methoxy-2-[4-[(E)-2-[4-[2-[2-[4-[(E)-2-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]ethenyl]phenoxy]ethoxy]ethoxy]phenyl]ethenyl]phenyl]-1,3-benzothiazole.

Molecular Properties

• Compound Name: 6-methoxy-2-[4-[(E)-2-[4-[2-[2-[4-[(E)-2-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]ethenyl]phenoxy]ethoxy]ethoxy]phenyl]ethenyl]phenyl]-1,3-benzothiazole
• PubChem CID: 142764171
• Molecular Formula: C48H40N2O5S2
• Molecular Weight: 788.99 g/mol
• Exact Mass: 788.24
• IUPAC Name: 6-methoxy-2-[4-[(E)-2-[4-[2-[2-[4-[(E)-2-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]ethenyl]phenoxy]ethoxy]ethoxy]phenyl]ethenyl]phenyl]-1,3-benzothiazole
• SMILES: COc1ccc2nc(-c3ccc(/C=C/c4ccc(OCCOCCOc5ccc(/C=C/c6ccc(-c7nc8ccc(OC)cc8s7)cc6)cc5)cc4)cc3)sc2c1
• InChI: InChI=1S/C48H40N2O5S2/c1-51-41-23-25-43-45(31-41)56-47(49-43)37-15-7-33(8-16-37)3-5-35-11-19-39(20-12-35)54-29-27-53-28-30-55-40-21-13-36(14-22-40)6-4-34-9-17-38(18-10-34)48-50-44-26-24-42(52-2)32-46(44)57-48/h3-26,31-32H,27-30H2,1-2H3/b5-3+,6-4+
• InChIKey: TVRQLUDICMFHSJ-GGWOSOGESA-N
• XLogP: 12.07
• TPSA: 71.93 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 16
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	788.99
LogP ≤ 5	12.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

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 6-methoxy-2-[4-[(E)-2-[4-[2-[2-[4-[(E)-2-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]ethenyl]phenoxy]ethoxy]ethoxy]phenyl]ethenyl]phenyl]-1,3-benzothiazole?

The IUPAC name of 6-methoxy-2-[4-[(E)-2-[4-[2-[2-[4-[(E)-2-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]ethenyl]phenoxy]ethoxy]ethoxy]phenyl]ethenyl]phenyl]-1,3-benzothiazole (CID 142764171) is 6-methoxy-2-[4-[(E)-2-[4-[2-[2-[4-[(E)-2-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]ethenyl]phenoxy]ethoxy]ethoxy]phenyl]ethenyl]phenyl]-1,3-benzothiazole.

What is the SMILES notation for 6-methoxy-2-[4-[(E)-2-[4-[2-[2-[4-[(E)-2-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]ethenyl]phenoxy]ethoxy]ethoxy]phenyl]ethenyl]phenyl]-1,3-benzothiazole?

The canonical SMILES for 6-methoxy-2-[4-[(E)-2-[4-[2-[2-[4-[(E)-2-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]ethenyl]phenoxy]ethoxy]ethoxy]phenyl]ethenyl]phenyl]-1,3-benzothiazole is COc1ccc2nc(-c3ccc(/C=C/c4ccc(OCCOCCOc5ccc(/C=C/c6ccc(-c7nc8ccc(OC)cc8s7)cc6)cc5)cc4)cc3)sc2c1.

What is the InChIKey of 6-methoxy-2-[4-[(E)-2-[4-[2-[2-[4-[(E)-2-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]ethenyl]phenoxy]ethoxy]ethoxy]phenyl]ethenyl]phenyl]-1,3-benzothiazole?

The InChIKey is TVRQLUDICMFHSJ-GGWOSOGESA-N. The full InChI is InChI=1S/C48H40N2O5S2/c1-51-41-23-25-43-45(31-41)56-47(49-43)37-15-7-33(8-16-37)3-5-35-11-19-39(20-12-35)54-29-27-53-28-30-55-40-21-13-36(14-22-40)6-4-34-9-17-38(18-10-34)48-50-44-26-24-42(52-2)32-46(44)57-48/h3-26,31-32H,27-30H2,1-2H3/b5-3+,6-4+.

What are the key properties of 6-methoxy-2-[4-[(E)-2-[4-[2-[2-[4-[(E)-2-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]ethenyl]phenoxy]ethoxy]ethoxy]phenyl]ethenyl]phenyl]-1,3-benzothiazole?

6-methoxy-2-[4-[(E)-2-[4-[2-[2-[4-[(E)-2-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]ethenyl]phenoxy]ethoxy]ethoxy]phenyl]ethenyl]phenyl]-1,3-benzothiazole has a molecular weight of 788.99 g/mol, XLogP of 12.07, 16 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methoxy-2-[4-[(E)-2-[4-[2-[2-[4-[(E)-2-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]ethenyl]phenoxy]ethoxy]ethoxy]phenyl]ethenyl]phenyl]-1,3-benzothiazole is sourced from PubChem (CID 142764171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).