4-[(E)-2-(4-methyl-3-prop-2-enoxyphenyl)ethenyl]-N-(1-phenylethenyl)aniline

C26H25NO — CID 145343110

IUPAC4-[(E)-2-(4-methyl-3-prop-2-enoxyphenyl)ethenyl]-N-(1-phenylethenyl)aniline
SMILESC=CCOc1cc(/C=C/c2ccc(NC(=C)c3ccccc3)cc2)ccc1C
InChIInChI=1S/C26H25NO/c1-4-18-28-26-19-23(11-10-20(26)2)13-12-22-14-16-25(17-15-22)27-21(3)24-8-6-5-7-9-24/h4-17,19,27H,1,3,18H2,2H3/b13-12+
InChIKeyNWRRBCGOQUPHEU-OUKQBFOZSA-N
MW367.49 g/mol
LogP6.81
Rot. Bonds8

About 4-[(E)-2-(4-methyl-3-prop-2-enoxyphenyl)ethenyl]-N-(1-phenylethenyl)aniline

4-[(E)-2-(4-methyl-3-prop-2-enoxyphenyl)ethenyl]-N-(1-phenylethenyl)aniline (PubChem CID 145343110) has the molecular formula C26H25NO and a molecular weight of 367.49 g/mol. Its IUPAC name is 4-[(E)-2-(4-methyl-3-prop-2-enoxyphenyl)ethenyl]-N-(1-phenylethenyl)aniline.

Molecular Properties

Compound Name4-[(E)-2-(4-methyl-3-prop-2-enoxyphenyl)ethenyl]-N-(1-phenylethenyl)aniline
PubChem CID145343110
Molecular FormulaC26H25NO
Molecular Weight367.49 g/mol
Exact Mass367.19
IUPAC Name4-[(E)-2-(4-methyl-3-prop-2-enoxyphenyl)ethenyl]-N-(1-phenylethenyl)aniline
SMILESC=CCOc1cc(/C=C/c2ccc(NC(=C)c3ccccc3)cc2)ccc1C
InChIInChI=1S/C26H25NO/c1-4-18-28-26-19-23(11-10-20(26)2)13-12-22-14-16-25(17-15-22)27-21(3)24-8-6-5-7-9-24/h4-17,19,27H,1,3,18H2,2H3/b13-12+
InChIKeyNWRRBCGOQUPHEU-OUKQBFOZSA-N
XLogP6.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.49
LogP ≤ 56.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(4-methyl-3-prop-2-enoxyphenyl)ethenyl]-N-(1-phenylethenyl)aniline?
The IUPAC name of 4-[(E)-2-(4-methyl-3-prop-2-enoxyphenyl)ethenyl]-N-(1-phenylethenyl)aniline (CID 145343110) is 4-[(E)-2-(4-methyl-3-prop-2-enoxyphenyl)ethenyl]-N-(1-phenylethenyl)aniline.
What is the SMILES notation for 4-[(E)-2-(4-methyl-3-prop-2-enoxyphenyl)ethenyl]-N-(1-phenylethenyl)aniline?
The canonical SMILES for 4-[(E)-2-(4-methyl-3-prop-2-enoxyphenyl)ethenyl]-N-(1-phenylethenyl)aniline is C=CCOc1cc(/C=C/c2ccc(NC(=C)c3ccccc3)cc2)ccc1C.
What is the InChIKey of 4-[(E)-2-(4-methyl-3-prop-2-enoxyphenyl)ethenyl]-N-(1-phenylethenyl)aniline?
The InChIKey is NWRRBCGOQUPHEU-OUKQBFOZSA-N. The full InChI is InChI=1S/C26H25NO/c1-4-18-28-26-19-23(11-10-20(26)2)13-12-22-14-16-25(17-15-22)27-21(3)24-8-6-5-7-9-24/h4-17,19,27H,1,3,18H2,2H3/b13-12+.
What are the key properties of 4-[(E)-2-(4-methyl-3-prop-2-enoxyphenyl)ethenyl]-N-(1-phenylethenyl)aniline?
4-[(E)-2-(4-methyl-3-prop-2-enoxyphenyl)ethenyl]-N-(1-phenylethenyl)aniline has a molecular weight of 367.49 g/mol, XLogP of 6.81, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(4-methyl-3-prop-2-enoxyphenyl)ethenyl]-N-(1-phenylethenyl)aniline is sourced from PubChem (CID 145343110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).