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

C33H25N — CID 102597528

IUPAC2,6-bis[2-[(E)-2-phenylethenyl]phenyl]pyridine
SMILESC(=C/c1ccccc1-c1cccc(-c2ccccc2/C=C/c2ccccc2)n1)\c1ccccc1
InChIInChI=1S/C33H25N/c1-3-12-26(13-4-1)22-24-28-16-7-9-18-30(28)32-20-11-21-33(34-32)31-19-10-8-17-29(31)25-23-27-14-5-2-6-15-27/h1-25H/b24-22+,25-23+
InChIKeyLSKJYZUWSPMPKR-BQASJOSNSA-N
MW435.57 g/mol
LogP8.76
Rot. Bonds6

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

2,6-bis[2-[(E)-2-phenylethenyl]phenyl]pyridine (PubChem CID 102597528) has the molecular formula C33H25N and a molecular weight of 435.57 g/mol. Its IUPAC name is 2,6-bis[2-[(E)-2-phenylethenyl]phenyl]pyridine.

Molecular Properties

Compound Name2,6-bis[2-[(E)-2-phenylethenyl]phenyl]pyridine
PubChem CID102597528
Molecular FormulaC33H25N
Molecular Weight435.57 g/mol
Exact Mass435.20
IUPAC Name2,6-bis[2-[(E)-2-phenylethenyl]phenyl]pyridine
SMILESC(=C/c1ccccc1-c1cccc(-c2ccccc2/C=C/c2ccccc2)n1)\c1ccccc1
InChIInChI=1S/C33H25N/c1-3-12-26(13-4-1)22-24-28-16-7-9-18-30(28)32-20-11-21-33(34-32)31-19-10-8-17-29(31)25-23-27-14-5-2-6-15-27/h1-25H/b24-22+,25-23+
InChIKeyLSKJYZUWSPMPKR-BQASJOSNSA-N
XLogP8.76
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.57
LogP ≤ 58.76
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 2,6-bis[2-[(E)-2-phenylethenyl]phenyl]pyridine?
The IUPAC name of 2,6-bis[2-[(E)-2-phenylethenyl]phenyl]pyridine (CID 102597528) is 2,6-bis[2-[(E)-2-phenylethenyl]phenyl]pyridine.
What is the SMILES notation for 2,6-bis[2-[(E)-2-phenylethenyl]phenyl]pyridine?
The canonical SMILES for 2,6-bis[2-[(E)-2-phenylethenyl]phenyl]pyridine is C(=C/c1ccccc1-c1cccc(-c2ccccc2/C=C/c2ccccc2)n1)\c1ccccc1.
What is the InChIKey of 2,6-bis[2-[(E)-2-phenylethenyl]phenyl]pyridine?
The InChIKey is LSKJYZUWSPMPKR-BQASJOSNSA-N. The full InChI is InChI=1S/C33H25N/c1-3-12-26(13-4-1)22-24-28-16-7-9-18-30(28)32-20-11-21-33(34-32)31-19-10-8-17-29(31)25-23-27-14-5-2-6-15-27/h1-25H/b24-22+,25-23+.
What are the key properties of 2,6-bis[2-[(E)-2-phenylethenyl]phenyl]pyridine?
2,6-bis[2-[(E)-2-phenylethenyl]phenyl]pyridine has a molecular weight of 435.57 g/mol, XLogP of 8.76, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[2-[(E)-2-phenylethenyl]phenyl]pyridine is sourced from PubChem (CID 102597528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).