2-[(E)-2-[2-[4-[4-[2,5-bis[(E)-2-[3-(2-ethylhexoxy)phenyl]ethenyl]-4-methylphenyl]phenyl]phenyl]-5-[4-(4-methylphenyl)phenyl]-4-[(E)-2-pyridin-2-ylethenyl]phenyl]ethenyl]pyridine

C84H84N2O2 — CID 20640921

IUPAC2-[(E)-2-[2-[4-[4-[2,5-bis[(E)-2-[3-(2-ethylhexoxy)phenyl]ethenyl]-4-methylphenyl]phenyl]phenyl]-5-[4-(4-methylphenyl)phenyl]-4-[(E)-2-pyridin-2-ylethenyl]phenyl]ethenyl]pyridine
SMILESCCCCC(CC)COc1cccc(/C=C/c2cc(-c3ccc(-c4ccc(-c5cc(/C=C/c6ccccn6)c(-c6ccc(-c7ccc(C)cc7)cc6)cc5/C=C/c5ccccn5)cc4)cc3)c(/C=C/c3cccc(OCC(CC)CCCC)c3)cc2C)c1
InChIInChI=1S/C84H84N2O2/c1-7-11-19-63(9-3)59-87-80-25-17-21-65(54-80)29-33-74-56-82(75(53-62(74)6)34-30-66-22-18-26-81(55-66)88-60-64(10-4)20-12-8-2)71-41-37-69(38-42-71)70-39-45-73(46-40-70)84-58-76(47-49-78-23-13-15-51-85-78)83(57-77(84)48-50-79-24-14-16-52-86-79)72-43-35-68(36-44-72)67-31-27-61(5)28-32-67/h13-18,21-58,63-64H,7-12,19-20,59-60H2,1-6H3/b33-29+,34-30+,49-47+,50-48+
InChIKeyKREUVRKLUAWSNM-GVWWSROKSA-N
MW1153.61 g/mol
LogP23.30
Rot. Bonds27

About 2-[(E)-2-[2-[4-[4-[2,5-bis[(E)-2-[3-(2-ethylhexoxy)phenyl]ethenyl]-4-methylphenyl]phenyl]phenyl]-5-[4-(4-methylphenyl)phenyl]-4-[(E)-2-pyridin-2-ylethenyl]phenyl]ethenyl]pyridine

2-[(E)-2-[2-[4-[4-[2,5-bis[(E)-2-[3-(2-ethylhexoxy)phenyl]ethenyl]-4-methylphenyl]phenyl]phenyl]-5-[4-(4-methylphenyl)phenyl]-4-[(E)-2-pyridin-2-ylethenyl]phenyl]ethenyl]pyridine (PubChem CID 20640921) has the molecular formula C84H84N2O2 and a molecular weight of 1153.61 g/mol. Its IUPAC name is 2-[(E)-2-[2-[4-[4-[2,5-bis[(E)-2-[3-(2-ethylhexoxy)phenyl]ethenyl]-4-methylphenyl]phenyl]phenyl]-5-[4-(4-methylphenyl)phenyl]-4-[(E)-2-pyridin-2-ylethenyl]phenyl]ethenyl]pyridine.

Molecular Properties

Compound Name2-[(E)-2-[2-[4-[4-[2,5-bis[(E)-2-[3-(2-ethylhexoxy)phenyl]ethenyl]-4-methylphenyl]phenyl]phenyl]-5-[4-(4-methylphenyl)phenyl]-4-[(E)-2-pyridin-2-ylethenyl]phenyl]ethenyl]pyridine
PubChem CID20640921
Molecular FormulaC84H84N2O2
Molecular Weight1153.61 g/mol
Exact Mass1152.65
IUPAC Name2-[(E)-2-[2-[4-[4-[2,5-bis[(E)-2-[3-(2-ethylhexoxy)phenyl]ethenyl]-4-methylphenyl]phenyl]phenyl]-5-[4-(4-methylphenyl)phenyl]-4-[(E)-2-pyridin-2-ylethenyl]phenyl]ethenyl]pyridine
SMILESCCCCC(CC)COc1cccc(/C=C/c2cc(-c3ccc(-c4ccc(-c5cc(/C=C/c6ccccn6)c(-c6ccc(-c7ccc(C)cc7)cc6)cc5/C=C/c5ccccn5)cc4)cc3)c(/C=C/c3cccc(OCC(CC)CCCC)c3)cc2C)c1
InChIInChI=1S/C84H84N2O2/c1-7-11-19-63(9-3)59-87-80-25-17-21-65(54-80)29-33-74-56-82(75(53-62(74)6)34-30-66-22-18-26-81(55-66)88-60-64(10-4)20-12-8-2)71-41-37-69(38-42-71)70-39-45-73(46-40-70)84-58-76(47-49-78-23-13-15-51-85-78)83(57-77(84)48-50-79-24-14-16-52-86-79)72-43-35-68(36-44-72)67-31-27-61(5)28-32-67/h13-18,21-58,63-64H,7-12,19-20,59-60H2,1-6H3/b33-29+,34-30+,49-47+,50-48+
InChIKeyKREUVRKLUAWSNM-GVWWSROKSA-N
XLogP23.30
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds27
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001153.61
LogP ≤ 523.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(E)-2-[2-[4-[4-[2,5-bis[(E)-2-[3-(2-ethylhexoxy)phenyl]ethenyl]-4-methylphenyl]phenyl]phenyl]-5-[4-(4-methylphenyl)phenyl]-4-[(E)-2-pyridin-2-ylethenyl]phenyl]ethenyl]pyridine with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-[2-[4-[4-[2,5-bis[(E)-2-[3-(2-ethylhexoxy)phenyl]ethenyl]-4-methylphenyl]phenyl]phenyl]-5-[4-(4-methylphenyl)phenyl]-4-[(E)-2-pyridin-2-ylethenyl]phenyl]ethenyl]pyridine?
The IUPAC name of 2-[(E)-2-[2-[4-[4-[2,5-bis[(E)-2-[3-(2-ethylhexoxy)phenyl]ethenyl]-4-methylphenyl]phenyl]phenyl]-5-[4-(4-methylphenyl)phenyl]-4-[(E)-2-pyridin-2-ylethenyl]phenyl]ethenyl]pyridine (CID 20640921) is 2-[(E)-2-[2-[4-[4-[2,5-bis[(E)-2-[3-(2-ethylhexoxy)phenyl]ethenyl]-4-methylphenyl]phenyl]phenyl]-5-[4-(4-methylphenyl)phenyl]-4-[(E)-2-pyridin-2-ylethenyl]phenyl]ethenyl]pyridine.
What is the SMILES notation for 2-[(E)-2-[2-[4-[4-[2,5-bis[(E)-2-[3-(2-ethylhexoxy)phenyl]ethenyl]-4-methylphenyl]phenyl]phenyl]-5-[4-(4-methylphenyl)phenyl]-4-[(E)-2-pyridin-2-ylethenyl]phenyl]ethenyl]pyridine?
The canonical SMILES for 2-[(E)-2-[2-[4-[4-[2,5-bis[(E)-2-[3-(2-ethylhexoxy)phenyl]ethenyl]-4-methylphenyl]phenyl]phenyl]-5-[4-(4-methylphenyl)phenyl]-4-[(E)-2-pyridin-2-ylethenyl]phenyl]ethenyl]pyridine is CCCCC(CC)COc1cccc(/C=C/c2cc(-c3ccc(-c4ccc(-c5cc(/C=C/c6ccccn6)c(-c6ccc(-c7ccc(C)cc7)cc6)cc5/C=C/c5ccccn5)cc4)cc3)c(/C=C/c3cccc(OCC(CC)CCCC)c3)cc2C)c1.
What is the InChIKey of 2-[(E)-2-[2-[4-[4-[2,5-bis[(E)-2-[3-(2-ethylhexoxy)phenyl]ethenyl]-4-methylphenyl]phenyl]phenyl]-5-[4-(4-methylphenyl)phenyl]-4-[(E)-2-pyridin-2-ylethenyl]phenyl]ethenyl]pyridine?
The InChIKey is KREUVRKLUAWSNM-GVWWSROKSA-N. The full InChI is InChI=1S/C84H84N2O2/c1-7-11-19-63(9-3)59-87-80-25-17-21-65(54-80)29-33-74-56-82(75(53-62(74)6)34-30-66-22-18-26-81(55-66)88-60-64(10-4)20-12-8-2)71-41-37-69(38-42-71)70-39-45-73(46-40-70)84-58-76(47-49-78-23-13-15-51-85-78)83(57-77(84)48-50-79-24-14-16-52-86-79)72-43-35-68(36-44-72)67-31-27-61(5)28-32-67/h13-18,21-58,63-64H,7-12,19-20,59-60H2,1-6H3/b33-29+,34-30+,49-47+,50-48+.
What are the key properties of 2-[(E)-2-[2-[4-[4-[2,5-bis[(E)-2-[3-(2-ethylhexoxy)phenyl]ethenyl]-4-methylphenyl]phenyl]phenyl]-5-[4-(4-methylphenyl)phenyl]-4-[(E)-2-pyridin-2-ylethenyl]phenyl]ethenyl]pyridine?
2-[(E)-2-[2-[4-[4-[2,5-bis[(E)-2-[3-(2-ethylhexoxy)phenyl]ethenyl]-4-methylphenyl]phenyl]phenyl]-5-[4-(4-methylphenyl)phenyl]-4-[(E)-2-pyridin-2-ylethenyl]phenyl]ethenyl]pyridine has a molecular weight of 1153.61 g/mol, XLogP of 23.30, 27 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-[2-[4-[4-[2,5-bis[(E)-2-[3-(2-ethylhexoxy)phenyl]ethenyl]-4-methylphenyl]phenyl]phenyl]-5-[4-(4-methylphenyl)phenyl]-4-[(E)-2-pyridin-2-ylethenyl]phenyl]ethenyl]pyridine is sourced from PubChem (CID 20640921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).