[4-[5-(4-dimethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)penta-1,3-dienyl]cyclohexa-2,4-dien-1-ylidene]-dimethylazanium

C21H26N2+2 — CID 91024449

IUPAC[4-[5-(4-dimethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)penta-1,3-dienyl]cyclohexa-2,4-dien-1-ylidene]-dimethylazanium
SMILESC[N+](C)=C1C=CC(=CC=CC=CC2=CCC(=[N+](C)C)C=C2)C=C1
InChIInChI=1S/C21H26N2/c1-22(2)20-14-10-18(11-15-20)8-6-5-7-9-19-12-16-21(17-13-19)23(3)4/h5-16H,17H2,1-4H3/q+2
InChIKeyJETCFGPPYBMSJK-UHFFFAOYSA-N
MW306.45 g/mol
LogP3.46
Rot. Bonds3

About [4-[5-(4-dimethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)penta-1,3-dienyl]cyclohexa-2,4-dien-1-ylidene]-dimethylazanium

[4-[5-(4-dimethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)penta-1,3-dienyl]cyclohexa-2,4-dien-1-ylidene]-dimethylazanium (PubChem CID 91024449) has the molecular formula C21H26N2+2 and a molecular weight of 306.45 g/mol. Its IUPAC name is [4-[5-(4-dimethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)penta-1,3-dienyl]cyclohexa-2,4-dien-1-ylidene]-dimethylazanium.

Molecular Properties

Compound Name[4-[5-(4-dimethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)penta-1,3-dienyl]cyclohexa-2,4-dien-1-ylidene]-dimethylazanium
PubChem CID91024449
Molecular FormulaC21H26N2+2
Molecular Weight306.45 g/mol
Exact Mass306.21
IUPAC Name[4-[5-(4-dimethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)penta-1,3-dienyl]cyclohexa-2,4-dien-1-ylidene]-dimethylazanium
SMILESC[N+](C)=C1C=CC(=CC=CC=CC2=CCC(=[N+](C)C)C=C2)C=C1
InChIInChI=1S/C21H26N2/c1-22(2)20-14-10-18(11-15-20)8-6-5-7-9-19-12-16-21(17-13-19)23(3)4/h5-16H,17H2,1-4H3/q+2
InChIKeyJETCFGPPYBMSJK-UHFFFAOYSA-N
XLogP3.46
TPSA6.02 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [4-[5-(4-dimethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)penta-1,3-dienyl]cyclohexa-2,4-dien-1-ylidene]-dimethylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Dimethyl-(4-methylidenecyclohexa-2,5-dien-1-ylidene)azanium
CID 18457916
(5-Fluoro-4-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)-dimethylazanium
CID 141963440
Dimethyl-(4-propan-2-ylidenecyclohexa-2,5-dien-1-ylidene)azanium
CID 101015672
(1Z,9Z)-9,10-dimethyl-8,11-diazatricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene
CID 134989464
N,N-dimethyl-1-[(E)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]methanamine
CID 135027828
N,N-dimethyl-1-[(E)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]methanamine
CID 135042691
dimethyl-[(6Z)-6-naphthalen-1-ylidenecyclohexa-2,4-dien-1-ylidene]azanium
CID 154707776
(3,5-Dimethyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)-dimethylazanium
CID 20672937
Diethyl-(4-methylidenecyclohexa-2,5-dien-1-ylidene)azanium
CID 21097600
N-methyl-6-methylidenecyclohexa-2,4-dien-1-imine
CID 21859815
1-N,2-N-dimethylcyclohexa-3,5-diene-1,2-diimine;ethane
CID 53727885
N-methyl-4-[2-(1-methyl-4-pyridinylidene)ethylidene]cyclohexa-2,5-dien-1-imine
CID 53800904

Frequently Asked Questions

What is the IUPAC name of [4-[5-(4-dimethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)penta-1,3-dienyl]cyclohexa-2,4-dien-1-ylidene]-dimethylazanium?
The IUPAC name of [4-[5-(4-dimethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)penta-1,3-dienyl]cyclohexa-2,4-dien-1-ylidene]-dimethylazanium (CID 91024449) is [4-[5-(4-dimethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)penta-1,3-dienyl]cyclohexa-2,4-dien-1-ylidene]-dimethylazanium.
What is the SMILES notation for [4-[5-(4-dimethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)penta-1,3-dienyl]cyclohexa-2,4-dien-1-ylidene]-dimethylazanium?
The canonical SMILES for [4-[5-(4-dimethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)penta-1,3-dienyl]cyclohexa-2,4-dien-1-ylidene]-dimethylazanium is C[N+](C)=C1C=CC(=CC=CC=CC2=CCC(=[N+](C)C)C=C2)C=C1.
What is the InChIKey of [4-[5-(4-dimethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)penta-1,3-dienyl]cyclohexa-2,4-dien-1-ylidene]-dimethylazanium?
The InChIKey is JETCFGPPYBMSJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2/c1-22(2)20-14-10-18(11-15-20)8-6-5-7-9-19-12-16-21(17-13-19)23(3)4/h5-16H,17H2,1-4H3/q+2.
What are the key properties of [4-[5-(4-dimethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)penta-1,3-dienyl]cyclohexa-2,4-dien-1-ylidene]-dimethylazanium?
[4-[5-(4-dimethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)penta-1,3-dienyl]cyclohexa-2,4-dien-1-ylidene]-dimethylazanium has a molecular weight of 306.45 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(4-dimethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)penta-1,3-dienyl]cyclohexa-2,4-dien-1-ylidene]-dimethylazanium is sourced from PubChem (CID 91024449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).