4-[(E)-1,2-dinaphthalen-2-ylethenyl]pyridine

C27H19N — CID 171662069

IUPAC4-[(E)-1,2-dinaphthalen-2-ylethenyl]pyridine
SMILESC(=C(/c1ccncc1)c1ccc2ccccc2c1)\c1ccc2ccccc2c1
InChIInChI=1S/C27H19N/c1-3-7-24-17-20(9-10-21(24)5-1)18-27(23-13-15-28-16-14-23)26-12-11-22-6-2-4-8-25(22)19-26/h1-19H/b27-18-
InChIKeyYQDZBKOOUMYBIQ-IMRQLAEWSA-N
MW357.46 g/mol
LogP6.98
Rot. Bonds3

About 4-[(E)-1,2-dinaphthalen-2-ylethenyl]pyridine

4-[(E)-1,2-dinaphthalen-2-ylethenyl]pyridine (PubChem CID 171662069) has the molecular formula C27H19N and a molecular weight of 357.46 g/mol. Its IUPAC name is 4-[(E)-1,2-dinaphthalen-2-ylethenyl]pyridine.

Molecular Properties

Compound Name4-[(E)-1,2-dinaphthalen-2-ylethenyl]pyridine
PubChem CID171662069
Molecular FormulaC27H19N
Molecular Weight357.46 g/mol
Exact Mass357.15
IUPAC Name4-[(E)-1,2-dinaphthalen-2-ylethenyl]pyridine
SMILESC(=C(/c1ccncc1)c1ccc2ccccc2c1)\c1ccc2ccccc2c1
InChIInChI=1S/C27H19N/c1-3-7-24-17-20(9-10-21(24)5-1)18-27(23-13-15-28-16-14-23)26-12-11-22-6-2-4-8-25(22)19-26/h1-19H/b27-18-
InChIKeyYQDZBKOOUMYBIQ-IMRQLAEWSA-N
XLogP6.98
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.46
LogP ≤ 56.98
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 4-[(E)-1,2-dinaphthalen-2-ylethenyl]pyridine?
The IUPAC name of 4-[(E)-1,2-dinaphthalen-2-ylethenyl]pyridine (CID 171662069) is 4-[(E)-1,2-dinaphthalen-2-ylethenyl]pyridine.
What is the SMILES notation for 4-[(E)-1,2-dinaphthalen-2-ylethenyl]pyridine?
The canonical SMILES for 4-[(E)-1,2-dinaphthalen-2-ylethenyl]pyridine is C(=C(/c1ccncc1)c1ccc2ccccc2c1)\c1ccc2ccccc2c1.
What is the InChIKey of 4-[(E)-1,2-dinaphthalen-2-ylethenyl]pyridine?
The InChIKey is YQDZBKOOUMYBIQ-IMRQLAEWSA-N. The full InChI is InChI=1S/C27H19N/c1-3-7-24-17-20(9-10-21(24)5-1)18-27(23-13-15-28-16-14-23)26-12-11-22-6-2-4-8-25(22)19-26/h1-19H/b27-18-.
What are the key properties of 4-[(E)-1,2-dinaphthalen-2-ylethenyl]pyridine?
4-[(E)-1,2-dinaphthalen-2-ylethenyl]pyridine has a molecular weight of 357.46 g/mol, XLogP of 6.98, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-1,2-dinaphthalen-2-ylethenyl]pyridine is sourced from PubChem (CID 171662069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).