4-[(E)-2-[6-[2-[2-[2-[2-[2-[2-[2-(2-fluoroethoxy)-3-[2-[2-[2-[2-[2-[2-[[5-[(E)-2-[4-(methylamino)phenyl]ethenyl]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-pyridinyl]ethenyl]-N-methylaniline

C57H83FN4O15 — CID 56849564

IUPAC4-[(E)-2-[6-[2-[2-[2-[2-[2-[2-[2-(2-fluoroethoxy)-3-[2-[2-[2-[2-[2-[2-[[5-[(E)-2-[4-(methylamino)phenyl]ethenyl]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-pyridinyl]ethenyl]-N-methylaniline
SMILESCNc1ccc(/C=C/c2ccc(OCCOCCOCCOCCOCCOCCOCC(COCCOCCOCCOCCOCCOCCOc3ccc(/C=C/c4ccc(NC)cc4)cn3)OCCF)nc2)cc1
InChIInChI=1S/C57H83FN4O15/c1-59-53-13-7-49(8-14-53)3-5-51-11-17-56(61-45-51)76-43-41-71-35-33-67-27-25-63-21-23-65-29-31-69-37-39-73-47-55(75-20-19-58)48-74-40-38-70-32-30-66-24-22-64-26-28-68-34-36-72-42-44-77-57-18-12-52(46-62-57)6-4-50-9-15-54(60-2)16-10-50/h3-18,45-46,55,59-60H,19-44,47-48H2,1-2H3/b5-3+,6-4+
InChIKeyLOXWLVWYZYVWFE-GGWOSOGESA-N
MW1083.30 g/mol
LogP6.91
Rot. Bonds51

About 4-[(E)-2-[6-[2-[2-[2-[2-[2-[2-[2-(2-fluoroethoxy)-3-[2-[2-[2-[2-[2-[2-[[5-[(E)-2-[4-(methylamino)phenyl]ethenyl]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-pyridinyl]ethenyl]-N-methylaniline

4-[(E)-2-[6-[2-[2-[2-[2-[2-[2-[2-(2-fluoroethoxy)-3-[2-[2-[2-[2-[2-[2-[[5-[(E)-2-[4-(methylamino)phenyl]ethenyl]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-pyridinyl]ethenyl]-N-methylaniline (PubChem CID 56849564) has the molecular formula C57H83FN4O15 and a molecular weight of 1083.30 g/mol. Its IUPAC name is 4-[(E)-2-[6-[2-[2-[2-[2-[2-[2-[2-(2-fluoroethoxy)-3-[2-[2-[2-[2-[2-[2-[[5-[(E)-2-[4-(methylamino)phenyl]ethenyl]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-pyridinyl]ethenyl]-N-methylaniline.

Molecular Properties

Compound Name4-[(E)-2-[6-[2-[2-[2-[2-[2-[2-[2-(2-fluoroethoxy)-3-[2-[2-[2-[2-[2-[2-[[5-[(E)-2-[4-(methylamino)phenyl]ethenyl]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-pyridinyl]ethenyl]-N-methylaniline
PubChem CID56849564
Molecular FormulaC57H83FN4O15
Molecular Weight1083.30 g/mol
Exact Mass1082.58
IUPAC Name4-[(E)-2-[6-[2-[2-[2-[2-[2-[2-[2-(2-fluoroethoxy)-3-[2-[2-[2-[2-[2-[2-[[5-[(E)-2-[4-(methylamino)phenyl]ethenyl]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-pyridinyl]ethenyl]-N-methylaniline
SMILESCNc1ccc(/C=C/c2ccc(OCCOCCOCCOCCOCCOCCOCC(COCCOCCOCCOCCOCCOCCOc3ccc(/C=C/c4ccc(NC)cc4)cn3)OCCF)nc2)cc1
InChIInChI=1S/C57H83FN4O15/c1-59-53-13-7-49(8-14-53)3-5-51-11-17-56(61-45-51)76-43-41-71-35-33-67-27-25-63-21-23-65-29-31-69-37-39-73-47-55(75-20-19-58)48-74-40-38-70-32-30-66-24-22-64-26-28-68-34-36-72-42-44-77-57-18-12-52(46-62-57)6-4-50-9-15-54(60-2)16-10-50/h3-18,45-46,55,59-60H,19-44,47-48H2,1-2H3/b5-3+,6-4+
InChIKeyLOXWLVWYZYVWFE-GGWOSOGESA-N
XLogP6.91
TPSA188.29 Ų
H-Bond Donors2
H-Bond Acceptors19
Rotatable Bonds51
Heavy Atoms77
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001083.30
LogP ≤ 56.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze 4-[(E)-2-[6-[2-[2-[2-[2-[2-[2-[2-(2-fluoroethoxy)-3-[2-[2-[2-[2-[2-[2-[[5-[(E)-2-[4-(methylamino)phenyl]ethenyl]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-pyridinyl]ethenyl]-N-methylaniline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[6-[2-[2-[2-[2-[2-[2-[2-(2-fluoroethoxy)-3-[2-[2-[2-[2-[2-[2-[[5-[(E)-2-[4-(methylamino)phenyl]ethenyl]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-pyridinyl]ethenyl]-N-methylaniline?
The IUPAC name of 4-[(E)-2-[6-[2-[2-[2-[2-[2-[2-[2-(2-fluoroethoxy)-3-[2-[2-[2-[2-[2-[2-[[5-[(E)-2-[4-(methylamino)phenyl]ethenyl]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-pyridinyl]ethenyl]-N-methylaniline (CID 56849564) is 4-[(E)-2-[6-[2-[2-[2-[2-[2-[2-[2-(2-fluoroethoxy)-3-[2-[2-[2-[2-[2-[2-[[5-[(E)-2-[4-(methylamino)phenyl]ethenyl]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-pyridinyl]ethenyl]-N-methylaniline.
What is the SMILES notation for 4-[(E)-2-[6-[2-[2-[2-[2-[2-[2-[2-(2-fluoroethoxy)-3-[2-[2-[2-[2-[2-[2-[[5-[(E)-2-[4-(methylamino)phenyl]ethenyl]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-pyridinyl]ethenyl]-N-methylaniline?
The canonical SMILES for 4-[(E)-2-[6-[2-[2-[2-[2-[2-[2-[2-(2-fluoroethoxy)-3-[2-[2-[2-[2-[2-[2-[[5-[(E)-2-[4-(methylamino)phenyl]ethenyl]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-pyridinyl]ethenyl]-N-methylaniline is CNc1ccc(/C=C/c2ccc(OCCOCCOCCOCCOCCOCCOCC(COCCOCCOCCOCCOCCOCCOc3ccc(/C=C/c4ccc(NC)cc4)cn3)OCCF)nc2)cc1.
What is the InChIKey of 4-[(E)-2-[6-[2-[2-[2-[2-[2-[2-[2-(2-fluoroethoxy)-3-[2-[2-[2-[2-[2-[2-[[5-[(E)-2-[4-(methylamino)phenyl]ethenyl]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-pyridinyl]ethenyl]-N-methylaniline?
The InChIKey is LOXWLVWYZYVWFE-GGWOSOGESA-N. The full InChI is InChI=1S/C57H83FN4O15/c1-59-53-13-7-49(8-14-53)3-5-51-11-17-56(61-45-51)76-43-41-71-35-33-67-27-25-63-21-23-65-29-31-69-37-39-73-47-55(75-20-19-58)48-74-40-38-70-32-30-66-24-22-64-26-28-68-34-36-72-42-44-77-57-18-12-52(46-62-57)6-4-50-9-15-54(60-2)16-10-50/h3-18,45-46,55,59-60H,19-44,47-48H2,1-2H3/b5-3+,6-4+.
What are the key properties of 4-[(E)-2-[6-[2-[2-[2-[2-[2-[2-[2-(2-fluoroethoxy)-3-[2-[2-[2-[2-[2-[2-[[5-[(E)-2-[4-(methylamino)phenyl]ethenyl]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-pyridinyl]ethenyl]-N-methylaniline?
4-[(E)-2-[6-[2-[2-[2-[2-[2-[2-[2-(2-fluoroethoxy)-3-[2-[2-[2-[2-[2-[2-[[5-[(E)-2-[4-(methylamino)phenyl]ethenyl]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-pyridinyl]ethenyl]-N-methylaniline has a molecular weight of 1083.30 g/mol, XLogP of 6.91, 51 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[6-[2-[2-[2-[2-[2-[2-[2-(2-fluoroethoxy)-3-[2-[2-[2-[2-[2-[2-[[5-[(E)-2-[4-(methylamino)phenyl]ethenyl]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-pyridinyl]ethenyl]-N-methylaniline is sourced from PubChem (CID 56849564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).