[4-[(2-ethylphenyl)-(4-methoxyphenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium

C24H26NO+ — CID 101076247

IUPAC[4-[(2-ethylphenyl)-(4-methoxyphenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium
SMILESCCc1ccccc1C(=C1C=CC(=[N+](C)C)C=C1)c1ccc(OC)cc1
InChIInChI=1S/C24H26NO/c1-5-18-8-6-7-9-23(18)24(20-12-16-22(26-4)17-13-20)19-10-14-21(15-11-19)25(2)3/h6-17H,5H2,1-4H3/q+1
InChIKeyNNTNABHUTPLUFA-UHFFFAOYSA-N
MW344.48 g/mol
LogP4.90
Rot. Bonds4

About [4-[(2-ethylphenyl)-(4-methoxyphenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium

[4-[(2-ethylphenyl)-(4-methoxyphenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium (PubChem CID 101076247) has the molecular formula C24H26NO+ and a molecular weight of 344.48 g/mol. Its IUPAC name is [4-[(2-ethylphenyl)-(4-methoxyphenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium.

Molecular Properties

Compound Name[4-[(2-ethylphenyl)-(4-methoxyphenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium
PubChem CID101076247
Molecular FormulaC24H26NO+
Molecular Weight344.48 g/mol
Exact Mass344.20
IUPAC Name[4-[(2-ethylphenyl)-(4-methoxyphenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium
SMILESCCc1ccccc1C(=C1C=CC(=[N+](C)C)C=C1)c1ccc(OC)cc1
InChIInChI=1S/C24H26NO/c1-5-18-8-6-7-9-23(18)24(20-12-16-22(26-4)17-13-20)19-10-14-21(15-11-19)25(2)3/h6-17H,5H2,1-4H3/q+1
InChIKeyNNTNABHUTPLUFA-UHFFFAOYSA-N
XLogP4.90
TPSA12.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

[4-[(4-methoxyphenyl)-(4-propan-2-ylphenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium
CID 101076252
2-[2-(4-methoxybenzoyl)phenyl]acetic acid
CID 15621221
methyl 2-[2-ethyl-6-(4-methoxybenzoyl)phenyl]-2-methoxyacetate
CID 141101425
[2-[(4-methoxyphenyl)methyl]phenyl]-phenylmethanone
CID 14451235
CID 10611515
CID 10611515
(2-ethylbenzoyl) 2-ethylbenzoate
CID 15761038
2-(4-methoxybenzoyl)benzoyl chloride
CID 13352630
(2-iodophenyl)-(4-methoxyphenyl)methanone
CID 43160499
N-ethyl-2-[2-(4-methoxyphenyl)-2-oxoethyl]benzenecarbothioamide
CID 163986172
(Z)-1-(2-ethylphenyl)-N-methoxyethanimine
CID 59119889
(4-methoxyphenyl)-(2-propan-2-ylphenyl)methanone
CID 23404431
(4-methoxyphenyl)-[2-(thiophene-2-carbonyl)phenyl]methanone
CID 71619058

Frequently Asked Questions

What is the IUPAC name of [4-[(2-ethylphenyl)-(4-methoxyphenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium?
The IUPAC name of [4-[(2-ethylphenyl)-(4-methoxyphenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium (CID 101076247) is [4-[(2-ethylphenyl)-(4-methoxyphenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium.
What is the SMILES notation for [4-[(2-ethylphenyl)-(4-methoxyphenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium?
The canonical SMILES for [4-[(2-ethylphenyl)-(4-methoxyphenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium is CCc1ccccc1C(=C1C=CC(=[N+](C)C)C=C1)c1ccc(OC)cc1.
What is the InChIKey of [4-[(2-ethylphenyl)-(4-methoxyphenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium?
The InChIKey is NNTNABHUTPLUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26NO/c1-5-18-8-6-7-9-23(18)24(20-12-16-22(26-4)17-13-20)19-10-14-21(15-11-19)25(2)3/h6-17H,5H2,1-4H3/q+1.
What are the key properties of [4-[(2-ethylphenyl)-(4-methoxyphenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium?
[4-[(2-ethylphenyl)-(4-methoxyphenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium has a molecular weight of 344.48 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-ethylphenyl)-(4-methoxyphenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium is sourced from PubChem (CID 101076247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).