[(E)-3-(dimethylamino)-2-[4-(4-pentylphenyl)phenyl]prop-2-enylidene]-dimethylazanium

C24H33N2+ — CID 45488530

IUPAC[(E)-3-(dimethylamino)-2-[4-(4-pentylphenyl)phenyl]prop-2-enylidene]-dimethylazanium
SMILESCCCCCc1ccc(-c2ccc(/C(C=[N+](C)C)=C\N(C)C)cc2)cc1
InChIInChI=1S/C24H33N2/c1-6-7-8-9-20-10-12-21(13-11-20)22-14-16-23(17-15-22)24(18-25(2)3)19-26(4)5/h10-19H,6-9H2,1-5H3/q+1
InChIKeyYZSOIJZBOROWAJ-UHFFFAOYSA-N
MW349.54 g/mol
LogP5.33
Rot. Bonds8

About [(E)-3-(dimethylamino)-2-[4-(4-pentylphenyl)phenyl]prop-2-enylidene]-dimethylazanium

[(E)-3-(dimethylamino)-2-[4-(4-pentylphenyl)phenyl]prop-2-enylidene]-dimethylazanium (PubChem CID 45488530) has the molecular formula C24H33N2+ and a molecular weight of 349.54 g/mol. Its IUPAC name is [(E)-3-(dimethylamino)-2-[4-(4-pentylphenyl)phenyl]prop-2-enylidene]-dimethylazanium.

Molecular Properties

Compound Name[(E)-3-(dimethylamino)-2-[4-(4-pentylphenyl)phenyl]prop-2-enylidene]-dimethylazanium
PubChem CID45488530
Molecular FormulaC24H33N2+
Molecular Weight349.54 g/mol
Exact Mass349.26
IUPAC Name[(E)-3-(dimethylamino)-2-[4-(4-pentylphenyl)phenyl]prop-2-enylidene]-dimethylazanium
SMILESCCCCCc1ccc(-c2ccc(/C(C=[N+](C)C)=C\N(C)C)cc2)cc1
InChIInChI=1S/C24H33N2/c1-6-7-8-9-20-10-12-21(13-11-20)22-14-16-23(17-15-22)24(18-25(2)3)19-26(4)5/h10-19H,6-9H2,1-5H3/q+1
InChIKeyYZSOIJZBOROWAJ-UHFFFAOYSA-N
XLogP5.33
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.54
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-octyl-4-(4-octylphenyl)benzene
CID 22766415
1-[(E)-1,2-difluoro-2-(4-heptylphenyl)ethenyl]-4-(4-nonylphenyl)benzene
CID 101164574
4-(4-dodecylphenyl)benzoic acid
CID 3092136
3-[4-(4-pentylphenyl)phenyl]propan-1-ol
CID 86125819
1-(4-pentylphenyl)-4-[2-(4-propylphenyl)ethyl]benzene
CID 19906985
1-(4,4-difluorobut-3-enyl)-4-(4-nonylphenyl)benzene
CID 19842723
1-[4-(4-heptylphenyl)phenyl]propane-1,2-dione
CID 20673138
1-(3,3-difluoroprop-2-enyl)-4-(4-octylphenyl)benzene
CID 19842694
3-[4-(4-heptylphenyl)phenyl]propanoic acid
CID 21182264
4-[4-(4-pentylphenyl)phenyl]but-3-yn-2-one
CID 20673193
2-iodo-1-[4-(4-octylphenyl)phenyl]ethanone
CID 21028908
2,2,2-trideuterio-1-[4-(4-heptylphenyl)phenyl]ethanone
CID 11369973

Frequently Asked Questions

What is the IUPAC name of [(E)-3-(dimethylamino)-2-[4-(4-pentylphenyl)phenyl]prop-2-enylidene]-dimethylazanium?
The IUPAC name of [(E)-3-(dimethylamino)-2-[4-(4-pentylphenyl)phenyl]prop-2-enylidene]-dimethylazanium (CID 45488530) is [(E)-3-(dimethylamino)-2-[4-(4-pentylphenyl)phenyl]prop-2-enylidene]-dimethylazanium.
What is the SMILES notation for [(E)-3-(dimethylamino)-2-[4-(4-pentylphenyl)phenyl]prop-2-enylidene]-dimethylazanium?
The canonical SMILES for [(E)-3-(dimethylamino)-2-[4-(4-pentylphenyl)phenyl]prop-2-enylidene]-dimethylazanium is CCCCCc1ccc(-c2ccc(/C(C=[N+](C)C)=C\N(C)C)cc2)cc1.
What is the InChIKey of [(E)-3-(dimethylamino)-2-[4-(4-pentylphenyl)phenyl]prop-2-enylidene]-dimethylazanium?
The InChIKey is YZSOIJZBOROWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N2/c1-6-7-8-9-20-10-12-21(13-11-20)22-14-16-23(17-15-22)24(18-25(2)3)19-26(4)5/h10-19H,6-9H2,1-5H3/q+1.
What are the key properties of [(E)-3-(dimethylamino)-2-[4-(4-pentylphenyl)phenyl]prop-2-enylidene]-dimethylazanium?
[(E)-3-(dimethylamino)-2-[4-(4-pentylphenyl)phenyl]prop-2-enylidene]-dimethylazanium has a molecular weight of 349.54 g/mol, XLogP of 5.33, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-(dimethylamino)-2-[4-(4-pentylphenyl)phenyl]prop-2-enylidene]-dimethylazanium is sourced from PubChem (CID 45488530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).