2-[(Z)-2-[3-[2-(2-phenyl-4-pyridin-2-ylphenyl)ethenyl]-5-[(Z)-2-(2-phenyl-4-pyridin-2-ylphenyl)ethenyl]phenyl]ethenyl]-5-pyridin-2-ylbenzonitrile

C58H40N4 — CID 162264077

IUPAC2-[(Z)-2-[3-[2-(2-phenyl-4-pyridin-2-ylphenyl)ethenyl]-5-[(Z)-2-(2-phenyl-4-pyridin-2-ylphenyl)ethenyl]phenyl]ethenyl]-5-pyridin-2-ylbenzonitrile
SMILESN#Cc1cc(-c2ccccn2)ccc1/C=C\c1cc(C=Cc2ccc(-c3ccccn3)cc2-c2ccccc2)cc(/C=C\c2ccc(-c3ccccn3)cc2-c2ccccc2)c1
InChIInChI=1S/C58H40N4/c59-41-53-38-50(56-17-7-10-32-60-56)29-26-45(53)23-20-42-35-43(21-24-48-27-30-51(57-18-8-11-33-61-57)39-54(48)46-13-3-1-4-14-46)37-44(36-42)22-25-49-28-31-52(58-19-9-12-34-62-58)40-55(49)47-15-5-2-6-16-47/h1-40H/b23-20-,24-21-,25-22?
InChIKeyLZIJKNBOYYWIRG-UCBTXEFCSA-N
MW792.99 g/mol
LogP14.59
Rot. Bonds11

About 2-[(Z)-2-[3-[2-(2-phenyl-4-pyridin-2-ylphenyl)ethenyl]-5-[(Z)-2-(2-phenyl-4-pyridin-2-ylphenyl)ethenyl]phenyl]ethenyl]-5-pyridin-2-ylbenzonitrile

2-[(Z)-2-[3-[2-(2-phenyl-4-pyridin-2-ylphenyl)ethenyl]-5-[(Z)-2-(2-phenyl-4-pyridin-2-ylphenyl)ethenyl]phenyl]ethenyl]-5-pyridin-2-ylbenzonitrile (PubChem CID 162264077) has the molecular formula C58H40N4 and a molecular weight of 792.99 g/mol. Its IUPAC name is 2-[(Z)-2-[3-[2-(2-phenyl-4-pyridin-2-ylphenyl)ethenyl]-5-[(Z)-2-(2-phenyl-4-pyridin-2-ylphenyl)ethenyl]phenyl]ethenyl]-5-pyridin-2-ylbenzonitrile.

Molecular Properties

Compound Name2-[(Z)-2-[3-[2-(2-phenyl-4-pyridin-2-ylphenyl)ethenyl]-5-[(Z)-2-(2-phenyl-4-pyridin-2-ylphenyl)ethenyl]phenyl]ethenyl]-5-pyridin-2-ylbenzonitrile
PubChem CID162264077
Molecular FormulaC58H40N4
Molecular Weight792.99 g/mol
Exact Mass792.33
IUPAC Name2-[(Z)-2-[3-[2-(2-phenyl-4-pyridin-2-ylphenyl)ethenyl]-5-[(Z)-2-(2-phenyl-4-pyridin-2-ylphenyl)ethenyl]phenyl]ethenyl]-5-pyridin-2-ylbenzonitrile
SMILESN#Cc1cc(-c2ccccn2)ccc1/C=C\c1cc(C=Cc2ccc(-c3ccccn3)cc2-c2ccccc2)cc(/C=C\c2ccc(-c3ccccn3)cc2-c2ccccc2)c1
InChIInChI=1S/C58H40N4/c59-41-53-38-50(56-17-7-10-32-60-56)29-26-45(53)23-20-42-35-43(21-24-48-27-30-51(57-18-8-11-33-61-57)39-54(48)46-13-3-1-4-14-46)37-44(36-42)22-25-49-28-31-52(58-19-9-12-34-62-58)40-55(49)47-15-5-2-6-16-47/h1-40H/b23-20-,24-21-,25-22?
InChIKeyLZIJKNBOYYWIRG-UCBTXEFCSA-N
XLogP14.59
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500792.99
LogP ≤ 514.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-pyridin-2-ylphenyl)benzene-1,3-dicarbonitrile
CID 126496742
5-[3-cyano-4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-2-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]benzonitrile
CID 101239718
2-methyl-4-phenyl-3-pyridin-2-ylbenzonitrile
CID 156678731
2-benzyl-4-pyridin-2-ylbenzonitrile
CID 162707729
4-(3-pyridin-2-ylphenyl)benzene-1,2,3-tricarbonitrile
CID 126496802
2-[3-(2-phenylphenyl)phenyl]pyridine
CID 59403973
2-[5-(4-methylphenyl)-2-[(Z)-prop-1-enyl]phenyl]pyridine
CID 118204402
2-[3-[4-[4-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyridine
CID 171461302
3-phenyl-5-(3-pyridin-2-ylphenyl)benzonitrile
CID 90393137
2-[2-(2-phenylethenyl)phenyl]pyridine
CID 67528933
4-(4-fluorophenyl)-6-pyridin-2-ylpyridine-3-carbonitrile
CID 175701819
2,4-bis(3-pyridin-2-ylphenyl)-6-(4-pyridin-2-ylphenyl)pyrimidine
CID 122426506

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-[3-[2-(2-phenyl-4-pyridin-2-ylphenyl)ethenyl]-5-[(Z)-2-(2-phenyl-4-pyridin-2-ylphenyl)ethenyl]phenyl]ethenyl]-5-pyridin-2-ylbenzonitrile?
The IUPAC name of 2-[(Z)-2-[3-[2-(2-phenyl-4-pyridin-2-ylphenyl)ethenyl]-5-[(Z)-2-(2-phenyl-4-pyridin-2-ylphenyl)ethenyl]phenyl]ethenyl]-5-pyridin-2-ylbenzonitrile (CID 162264077) is 2-[(Z)-2-[3-[2-(2-phenyl-4-pyridin-2-ylphenyl)ethenyl]-5-[(Z)-2-(2-phenyl-4-pyridin-2-ylphenyl)ethenyl]phenyl]ethenyl]-5-pyridin-2-ylbenzonitrile.
What is the SMILES notation for 2-[(Z)-2-[3-[2-(2-phenyl-4-pyridin-2-ylphenyl)ethenyl]-5-[(Z)-2-(2-phenyl-4-pyridin-2-ylphenyl)ethenyl]phenyl]ethenyl]-5-pyridin-2-ylbenzonitrile?
The canonical SMILES for 2-[(Z)-2-[3-[2-(2-phenyl-4-pyridin-2-ylphenyl)ethenyl]-5-[(Z)-2-(2-phenyl-4-pyridin-2-ylphenyl)ethenyl]phenyl]ethenyl]-5-pyridin-2-ylbenzonitrile is N#Cc1cc(-c2ccccn2)ccc1/C=C\c1cc(C=Cc2ccc(-c3ccccn3)cc2-c2ccccc2)cc(/C=C\c2ccc(-c3ccccn3)cc2-c2ccccc2)c1.
What is the InChIKey of 2-[(Z)-2-[3-[2-(2-phenyl-4-pyridin-2-ylphenyl)ethenyl]-5-[(Z)-2-(2-phenyl-4-pyridin-2-ylphenyl)ethenyl]phenyl]ethenyl]-5-pyridin-2-ylbenzonitrile?
The InChIKey is LZIJKNBOYYWIRG-UCBTXEFCSA-N. The full InChI is InChI=1S/C58H40N4/c59-41-53-38-50(56-17-7-10-32-60-56)29-26-45(53)23-20-42-35-43(21-24-48-27-30-51(57-18-8-11-33-61-57)39-54(48)46-13-3-1-4-14-46)37-44(36-42)22-25-49-28-31-52(58-19-9-12-34-62-58)40-55(49)47-15-5-2-6-16-47/h1-40H/b23-20-,24-21-,25-22?.
What are the key properties of 2-[(Z)-2-[3-[2-(2-phenyl-4-pyridin-2-ylphenyl)ethenyl]-5-[(Z)-2-(2-phenyl-4-pyridin-2-ylphenyl)ethenyl]phenyl]ethenyl]-5-pyridin-2-ylbenzonitrile?
2-[(Z)-2-[3-[2-(2-phenyl-4-pyridin-2-ylphenyl)ethenyl]-5-[(Z)-2-(2-phenyl-4-pyridin-2-ylphenyl)ethenyl]phenyl]ethenyl]-5-pyridin-2-ylbenzonitrile has a molecular weight of 792.99 g/mol, XLogP of 14.59, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2-[3-[2-(2-phenyl-4-pyridin-2-ylphenyl)ethenyl]-5-[(Z)-2-(2-phenyl-4-pyridin-2-ylphenyl)ethenyl]phenyl]ethenyl]-5-pyridin-2-ylbenzonitrile is sourced from PubChem (CID 162264077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).