4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[2,5-dioctoxy-4-[(Z)-2-pyridin-4-ylethenyl]phenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]pyridine

C84H124N2O6 — CID 177480609

IUPAC4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[2,5-dioctoxy-4-[(Z)-2-pyridin-4-ylethenyl]phenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]pyridine
SMILESCCCCCCCCOc1cc(/C=C/c2cc(OCCCCCCCC)c(/C=C/c3cc(OCCCCCCCC)c(/C=C/c4ccncc4)cc3OCCCCCCCC)cc2OCCCCCCCC)c(OCCCCCCCC)cc1/C=C\c1ccncc1
InChIInChI=1S/C84H124N2O6/c1-7-13-19-25-31-37-59-87-79-67-75(81(89-61-39-33-27-21-15-9-3)65-73(79)45-43-71-51-55-85-56-52-71)47-49-77-69-84(92-64-42-36-30-24-18-12-6)78(70-83(77)91-63-41-35-29-23-17-11-5)50-48-76-68-80(88-60-38-32-26-20-14-8-2)74(46-44-72-53-57-86-58-54-72)66-82(76)90-62-40-34-28-22-16-10-4/h43-58,65-70H,7-42,59-64H2,1-6H3/b45-43-,46-44+,49-47+,50-48+
InChIKeyFNIHGOQUGIVXAQ-JGTYVSBKSA-N
MW1257.92 g/mol
LogP25.59
Rot. Bonds56

About 4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[2,5-dioctoxy-4-[(Z)-2-pyridin-4-ylethenyl]phenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]pyridine

4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[2,5-dioctoxy-4-[(Z)-2-pyridin-4-ylethenyl]phenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]pyridine (PubChem CID 177480609) has the molecular formula C84H124N2O6 and a molecular weight of 1257.92 g/mol. Its IUPAC name is 4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[2,5-dioctoxy-4-[(Z)-2-pyridin-4-ylethenyl]phenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]pyridine.

Molecular Properties

Compound Name4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[2,5-dioctoxy-4-[(Z)-2-pyridin-4-ylethenyl]phenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]pyridine
PubChem CID177480609
Molecular FormulaC84H124N2O6
Molecular Weight1257.92 g/mol
Exact Mass1256.95
IUPAC Name4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[2,5-dioctoxy-4-[(Z)-2-pyridin-4-ylethenyl]phenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]pyridine
SMILESCCCCCCCCOc1cc(/C=C/c2cc(OCCCCCCCC)c(/C=C/c3cc(OCCCCCCCC)c(/C=C/c4ccncc4)cc3OCCCCCCCC)cc2OCCCCCCCC)c(OCCCCCCCC)cc1/C=C\c1ccncc1
InChIInChI=1S/C84H124N2O6/c1-7-13-19-25-31-37-59-87-79-67-75(81(89-61-39-33-27-21-15-9-3)65-73(79)45-43-71-51-55-85-56-52-71)47-49-77-69-84(92-64-42-36-30-24-18-12-6)78(70-83(77)91-63-41-35-29-23-17-11-5)50-48-76-68-80(88-60-38-32-26-20-14-8-2)74(46-44-72-53-57-86-58-54-72)66-82(76)90-62-40-34-28-22-16-10-4/h43-58,65-70H,7-42,59-64H2,1-6H3/b45-43-,46-44+,49-47+,50-48+
InChIKeyFNIHGOQUGIVXAQ-JGTYVSBKSA-N
XLogP25.59
TPSA81.16 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds56
Heavy Atoms92
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001257.92
LogP ≤ 525.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[2,5-dioctoxy-4-[(Z)-2-pyridin-4-ylethenyl]phenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]pyridine with MolForge

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Related Compounds

4-[(E)-2-[2-ethoxy-5-propoxy-4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]pyridine
CID 159504088
1-[(E)-2-[4-[(E)-2-[2,5-dioctoxy-4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenyl]ethenyl]-4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[2,5-dioctoxy-4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]phenyl]ethenyl]-2,5-dioctoxybenzene
CID 101056714
4-[(E)-2-[4-[(E)-2-(4-formylphenyl)ethenyl]-2,5-dihexadecoxyphenyl]ethenyl]benzaldehyde
CID 102237302
4-[(E)-2-(4-decoxyphenyl)ethenyl]pyridine
CID 12055704
N-[4-[(E)-2-[2,5-dihexoxy-4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 101129124
4-[(E)-2-[9,10-didodecoxy-6-[(E)-2-pyridin-4-ylethenyl]anthracen-2-yl]ethenyl]pyridine
CID 132518574
4-[(E)-2-(2,3,4-tributoxyphenyl)ethenyl]pyridine
CID 101367591
1,4-dioctoxy-2-[(E)-2-phenylethenyl]-5-[(E)-2-[4-[(E)-2-[4-[tris[4-[(E)-2-[4-[(E)-2-[2,5-dioctoxy-4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]methyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 102014093
4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-(4-formyl-2,5-dioctoxyphenyl)ethenyl]-2,5-dioctoxyphenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]-2,5-dioctoxybenzaldehyde
CID 101201557
1,4-bis[(E)-2-(4-ethenyl-2,5-dioctoxyphenyl)ethenyl]-2,5-dioctoxybenzene
CID 101045476
4-[(E)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2-hexadecoxy-5-methoxyphenyl]ethenyl]-N,N-dimethylaniline
CID 102389552
1-[2-[4-[2-[4-[2-[2,5-dihexadecoxy-4-[2-(2,3,4,5,6-pentafluorophenyl)ethenyl]phenyl]ethenyl]-2,5-dihexadecoxyphenyl]ethenyl]-2,5-dihexadecoxyphenyl]ethenyl]-2,3,4,5,6-pentafluorobenzene
CID 177389517

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[2,5-dioctoxy-4-[(Z)-2-pyridin-4-ylethenyl]phenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]pyridine?
The IUPAC name of 4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[2,5-dioctoxy-4-[(Z)-2-pyridin-4-ylethenyl]phenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]pyridine (CID 177480609) is 4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[2,5-dioctoxy-4-[(Z)-2-pyridin-4-ylethenyl]phenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]pyridine.
What is the SMILES notation for 4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[2,5-dioctoxy-4-[(Z)-2-pyridin-4-ylethenyl]phenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]pyridine?
The canonical SMILES for 4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[2,5-dioctoxy-4-[(Z)-2-pyridin-4-ylethenyl]phenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]pyridine is CCCCCCCCOc1cc(/C=C/c2cc(OCCCCCCCC)c(/C=C/c3cc(OCCCCCCCC)c(/C=C/c4ccncc4)cc3OCCCCCCCC)cc2OCCCCCCCC)c(OCCCCCCCC)cc1/C=C\c1ccncc1.
What is the InChIKey of 4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[2,5-dioctoxy-4-[(Z)-2-pyridin-4-ylethenyl]phenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]pyridine?
The InChIKey is FNIHGOQUGIVXAQ-JGTYVSBKSA-N. The full InChI is InChI=1S/C84H124N2O6/c1-7-13-19-25-31-37-59-87-79-67-75(81(89-61-39-33-27-21-15-9-3)65-73(79)45-43-71-51-55-85-56-52-71)47-49-77-69-84(92-64-42-36-30-24-18-12-6)78(70-83(77)91-63-41-35-29-23-17-11-5)50-48-76-68-80(88-60-38-32-26-20-14-8-2)74(46-44-72-53-57-86-58-54-72)66-82(76)90-62-40-34-28-22-16-10-4/h43-58,65-70H,7-42,59-64H2,1-6H3/b45-43-,46-44+,49-47+,50-48+.
What are the key properties of 4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[2,5-dioctoxy-4-[(Z)-2-pyridin-4-ylethenyl]phenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]pyridine?
4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[2,5-dioctoxy-4-[(Z)-2-pyridin-4-ylethenyl]phenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]pyridine has a molecular weight of 1257.92 g/mol, XLogP of 25.59, 56 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[2,5-dioctoxy-4-[(Z)-2-pyridin-4-ylethenyl]phenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]pyridine is sourced from PubChem (CID 177480609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).