2-[2,6-bis[(E)-2-phenylethenyl]phenyl]pyridine

C27H21N — CID 11360376

IUPAC2-[2,6-bis[(E)-2-phenylethenyl]phenyl]pyridine
SMILESC(=C/c1cccc(/C=C/c2ccccc2)c1-c1ccccn1)\c1ccccc1
InChIInChI=1S/C27H21N/c1-3-10-22(11-4-1)17-19-24-14-9-15-25(20-18-23-12-5-2-6-13-23)27(24)26-16-7-8-21-28-26/h1-21H/b19-17+,20-18+
InChIKeyTXDRBILQARNCPL-XPWSMXQVSA-N
MW359.47 g/mol
LogP7.09
Rot. Bonds5

About 2-[2,6-bis[(E)-2-phenylethenyl]phenyl]pyridine

2-[2,6-bis[(E)-2-phenylethenyl]phenyl]pyridine (PubChem CID 11360376) has the molecular formula C27H21N and a molecular weight of 359.47 g/mol. Its IUPAC name is 2-[2,6-bis[(E)-2-phenylethenyl]phenyl]pyridine.

Molecular Properties

Compound Name2-[2,6-bis[(E)-2-phenylethenyl]phenyl]pyridine
PubChem CID11360376
Molecular FormulaC27H21N
Molecular Weight359.47 g/mol
Exact Mass359.17
IUPAC Name2-[2,6-bis[(E)-2-phenylethenyl]phenyl]pyridine
SMILESC(=C/c1cccc(/C=C/c2ccccc2)c1-c1ccccn1)\c1ccccc1
InChIInChI=1S/C27H21N/c1-3-10-22(11-4-1)17-19-24-14-9-15-25(20-18-23-12-5-2-6-13-23)27(24)26-16-7-8-21-28-26/h1-21H/b19-17+,20-18+
InChIKeyTXDRBILQARNCPL-XPWSMXQVSA-N
XLogP7.09
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.47
LogP ≤ 57.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2,6-bis[(E)-2-phenylethenyl]phenyl]pyridine?
The IUPAC name of 2-[2,6-bis[(E)-2-phenylethenyl]phenyl]pyridine (CID 11360376) is 2-[2,6-bis[(E)-2-phenylethenyl]phenyl]pyridine.
What is the SMILES notation for 2-[2,6-bis[(E)-2-phenylethenyl]phenyl]pyridine?
The canonical SMILES for 2-[2,6-bis[(E)-2-phenylethenyl]phenyl]pyridine is C(=C/c1cccc(/C=C/c2ccccc2)c1-c1ccccn1)\c1ccccc1.
What is the InChIKey of 2-[2,6-bis[(E)-2-phenylethenyl]phenyl]pyridine?
The InChIKey is TXDRBILQARNCPL-XPWSMXQVSA-N. The full InChI is InChI=1S/C27H21N/c1-3-10-22(11-4-1)17-19-24-14-9-15-25(20-18-23-12-5-2-6-13-23)27(24)26-16-7-8-21-28-26/h1-21H/b19-17+,20-18+.
What are the key properties of 2-[2,6-bis[(E)-2-phenylethenyl]phenyl]pyridine?
2-[2,6-bis[(E)-2-phenylethenyl]phenyl]pyridine has a molecular weight of 359.47 g/mol, XLogP of 7.09, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-bis[(E)-2-phenylethenyl]phenyl]pyridine is sourced from PubChem (CID 11360376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).