2-(4-tert-butylphenyl)-5-[(E)-2-phenylethenyl]pyridine

C23H23N — CID 59538618

IUPAC2-(4-tert-butylphenyl)-5-[(E)-2-phenylethenyl]pyridine
SMILESCC(C)(C)c1ccc(-c2ccc(/C=C/c3ccccc3)cn2)cc1
InChIInChI=1S/C23H23N/c1-23(2,3)21-14-12-20(13-15-21)22-16-11-19(17-24-22)10-9-18-7-5-4-6-8-18/h4-17H,1-3H3/b10-9+
InChIKeyHGFIRSQOXVOYHR-MDZDMXLPSA-N
MW313.44 g/mol
LogP6.22
Rot. Bonds3

About 2-(4-tert-butylphenyl)-5-[(E)-2-phenylethenyl]pyridine

2-(4-tert-butylphenyl)-5-[(E)-2-phenylethenyl]pyridine (PubChem CID 59538618) has the molecular formula C23H23N and a molecular weight of 313.44 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-5-[(E)-2-phenylethenyl]pyridine.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-5-[(E)-2-phenylethenyl]pyridine
PubChem CID59538618
Molecular FormulaC23H23N
Molecular Weight313.44 g/mol
Exact Mass313.18
IUPAC Name2-(4-tert-butylphenyl)-5-[(E)-2-phenylethenyl]pyridine
SMILESCC(C)(C)c1ccc(-c2ccc(/C=C/c3ccccc3)cn2)cc1
InChIInChI=1S/C23H23N/c1-23(2,3)21-14-12-20(13-15-21)22-16-11-19(17-24-22)10-9-18-7-5-4-6-8-18/h4-17H,1-3H3/b10-9+
InChIKeyHGFIRSQOXVOYHR-MDZDMXLPSA-N
XLogP6.22
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.44
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-5-[(E)-2-phenylethenyl]pyridine?
The IUPAC name of 2-(4-tert-butylphenyl)-5-[(E)-2-phenylethenyl]pyridine (CID 59538618) is 2-(4-tert-butylphenyl)-5-[(E)-2-phenylethenyl]pyridine.
What is the SMILES notation for 2-(4-tert-butylphenyl)-5-[(E)-2-phenylethenyl]pyridine?
The canonical SMILES for 2-(4-tert-butylphenyl)-5-[(E)-2-phenylethenyl]pyridine is CC(C)(C)c1ccc(-c2ccc(/C=C/c3ccccc3)cn2)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-5-[(E)-2-phenylethenyl]pyridine?
The InChIKey is HGFIRSQOXVOYHR-MDZDMXLPSA-N. The full InChI is InChI=1S/C23H23N/c1-23(2,3)21-14-12-20(13-15-21)22-16-11-19(17-24-22)10-9-18-7-5-4-6-8-18/h4-17H,1-3H3/b10-9+.
What are the key properties of 2-(4-tert-butylphenyl)-5-[(E)-2-phenylethenyl]pyridine?
2-(4-tert-butylphenyl)-5-[(E)-2-phenylethenyl]pyridine has a molecular weight of 313.44 g/mol, XLogP of 6.22, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-5-[(E)-2-phenylethenyl]pyridine is sourced from PubChem (CID 59538618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).