2-[3-(1-phenylethenyl)-2-phenylmethoxyphenyl]pyridine

C26H21NO — CID 58238539

IUPAC2-[3-(1-phenylethenyl)-2-phenylmethoxyphenyl]pyridine
SMILESC=C(c1ccccc1)c1cccc(-c2ccccn2)c1OCc1ccccc1
InChIInChI=1S/C26H21NO/c1-20(22-13-6-3-7-14-22)23-15-10-16-24(25-17-8-9-18-27-25)26(23)28-19-21-11-4-2-5-12-21/h2-18H,1,19H2
InChIKeyGKQOLNGFRNKUMD-UHFFFAOYSA-N
MW363.46 g/mol
LogP6.39
Rot. Bonds6

About 2-[3-(1-phenylethenyl)-2-phenylmethoxyphenyl]pyridine

2-[3-(1-phenylethenyl)-2-phenylmethoxyphenyl]pyridine (PubChem CID 58238539) has the molecular formula C26H21NO and a molecular weight of 363.46 g/mol. Its IUPAC name is 2-[3-(1-phenylethenyl)-2-phenylmethoxyphenyl]pyridine.

Molecular Properties

Compound Name2-[3-(1-phenylethenyl)-2-phenylmethoxyphenyl]pyridine
PubChem CID58238539
Molecular FormulaC26H21NO
Molecular Weight363.46 g/mol
Exact Mass363.16
IUPAC Name2-[3-(1-phenylethenyl)-2-phenylmethoxyphenyl]pyridine
SMILESC=C(c1ccccc1)c1cccc(-c2ccccn2)c1OCc1ccccc1
InChIInChI=1S/C26H21NO/c1-20(22-13-6-3-7-14-22)23-15-10-16-24(25-17-8-9-18-27-25)26(23)28-19-21-11-4-2-5-12-21/h2-18H,1,19H2
InChIKeyGKQOLNGFRNKUMD-UHFFFAOYSA-N
XLogP6.39
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.46
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-phenylethenyl)-2-phenylmethoxyphenyl]pyridine?
The IUPAC name of 2-[3-(1-phenylethenyl)-2-phenylmethoxyphenyl]pyridine (CID 58238539) is 2-[3-(1-phenylethenyl)-2-phenylmethoxyphenyl]pyridine.
What is the SMILES notation for 2-[3-(1-phenylethenyl)-2-phenylmethoxyphenyl]pyridine?
The canonical SMILES for 2-[3-(1-phenylethenyl)-2-phenylmethoxyphenyl]pyridine is C=C(c1ccccc1)c1cccc(-c2ccccn2)c1OCc1ccccc1.
What is the InChIKey of 2-[3-(1-phenylethenyl)-2-phenylmethoxyphenyl]pyridine?
The InChIKey is GKQOLNGFRNKUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21NO/c1-20(22-13-6-3-7-14-22)23-15-10-16-24(25-17-8-9-18-27-25)26(23)28-19-21-11-4-2-5-12-21/h2-18H,1,19H2.
What are the key properties of 2-[3-(1-phenylethenyl)-2-phenylmethoxyphenyl]pyridine?
2-[3-(1-phenylethenyl)-2-phenylmethoxyphenyl]pyridine has a molecular weight of 363.46 g/mol, XLogP of 6.39, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-phenylethenyl)-2-phenylmethoxyphenyl]pyridine is sourced from PubChem (CID 58238539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).