(2E)-2-(4,6-diphenylpyran-2-ylidene)-N-(4-methoxyphenyl)ethanimine

C26H21NO2 — CID 6518633

IUPAC(2E)-2-(4,6-diphenylpyran-2-ylidene)-N-(4-methoxyphenyl)ethanimine
SMILESCOc1ccc(/N=C/C=C2\C=C(c3ccccc3)C=C(c3ccccc3)O2)cc1
InChIInChI=1S/C26H21NO2/c1-28-24-14-12-23(13-15-24)27-17-16-25-18-22(20-8-4-2-5-9-20)19-26(29-25)21-10-6-3-7-11-21/h2-19H,1H3/b25-16+,27-17+
InChIKeyXFESYQVPXCGNHU-JAMVSGQDSA-N
MW379.46 g/mol
LogP6.44
Rot. Bonds5

About (2E)-2-(4,6-diphenylpyran-2-ylidene)-N-(4-methoxyphenyl)ethanimine

(2E)-2-(4,6-diphenylpyran-2-ylidene)-N-(4-methoxyphenyl)ethanimine (PubChem CID 6518633) has the molecular formula C26H21NO2 and a molecular weight of 379.46 g/mol. Its IUPAC name is (2E)-2-(4,6-diphenylpyran-2-ylidene)-N-(4-methoxyphenyl)ethanimine.

Molecular Properties

Compound Name(2E)-2-(4,6-diphenylpyran-2-ylidene)-N-(4-methoxyphenyl)ethanimine
PubChem CID6518633
Molecular FormulaC26H21NO2
Molecular Weight379.46 g/mol
Exact Mass379.16
IUPAC Name(2E)-2-(4,6-diphenylpyran-2-ylidene)-N-(4-methoxyphenyl)ethanimine
SMILESCOc1ccc(/N=C/C=C2\C=C(c3ccccc3)C=C(c3ccccc3)O2)cc1
InChIInChI=1S/C26H21NO2/c1-28-24-14-12-23(13-15-24)27-17-16-25-18-22(20-8-4-2-5-9-20)19-26(29-25)21-10-6-3-7-11-21/h2-19H,1H3/b25-16+,27-17+
InChIKeyXFESYQVPXCGNHU-JAMVSGQDSA-N
XLogP6.44
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.46
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-[2-(4-methoxyphenyl)ethenylidene]-2,6-diphenylpyran
CID 5074511
6-(4-methoxyphenyl)-2,4-diphenyl-2H-pyran
CID 57376774
2-(2,6-dimethylpyran-4-ylidene)-N-phenylethanimine
CID 140863991
N-(4-methoxyphenyl)-2,2,2-triphenylethanimine
CID 10872538
2-(4-methoxyphenyl)iminoacetic acid
CID 21289850
N-[4-[[(2Z)-2-(2,2-dimethyl-6-phenyl-1,3-dioxin-4-ylidene)ethylidene]amino]phenyl]acetamide
CID 6518926
5-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methylidene]furan-2-one
CID 3120316
N-(4-methoxyphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine;hydrochloride
CID 170839740
2-(4-methoxyphenyl)-4-methyl-6-phenyl-4H-1,3-oxazine
CID 74947618
4-[(E)-3-(4-methoxyphenyl)iminoprop-1-enyl]-N,N-dimethylaniline
CID 102311282
N-(4-methoxyphenyl)-3-phenylprop-2-yn-1-imine
CID 10037064
(4-methoxyphenyl)-(5-phenyldiazenyl-1H-pyrrol-2-yl)diazene
CID 136721271

Frequently Asked Questions

What is the IUPAC name of (2E)-2-(4,6-diphenylpyran-2-ylidene)-N-(4-methoxyphenyl)ethanimine?
The IUPAC name of (2E)-2-(4,6-diphenylpyran-2-ylidene)-N-(4-methoxyphenyl)ethanimine (CID 6518633) is (2E)-2-(4,6-diphenylpyran-2-ylidene)-N-(4-methoxyphenyl)ethanimine.
What is the SMILES notation for (2E)-2-(4,6-diphenylpyran-2-ylidene)-N-(4-methoxyphenyl)ethanimine?
The canonical SMILES for (2E)-2-(4,6-diphenylpyran-2-ylidene)-N-(4-methoxyphenyl)ethanimine is COc1ccc(/N=C/C=C2\C=C(c3ccccc3)C=C(c3ccccc3)O2)cc1.
What is the InChIKey of (2E)-2-(4,6-diphenylpyran-2-ylidene)-N-(4-methoxyphenyl)ethanimine?
The InChIKey is XFESYQVPXCGNHU-JAMVSGQDSA-N. The full InChI is InChI=1S/C26H21NO2/c1-28-24-14-12-23(13-15-24)27-17-16-25-18-22(20-8-4-2-5-9-20)19-26(29-25)21-10-6-3-7-11-21/h2-19H,1H3/b25-16+,27-17+.
What are the key properties of (2E)-2-(4,6-diphenylpyran-2-ylidene)-N-(4-methoxyphenyl)ethanimine?
(2E)-2-(4,6-diphenylpyran-2-ylidene)-N-(4-methoxyphenyl)ethanimine has a molecular weight of 379.46 g/mol, XLogP of 6.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(4,6-diphenylpyran-2-ylidene)-N-(4-methoxyphenyl)ethanimine is sourced from PubChem (CID 6518633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).