(4-cyclohepta-2,4,6-trien-1-ylidenecyclohexa-2,5-dien-1-ylidene)-dimethylazanium

C15H16N+ — CID 10979802

IUPAC(4-cyclohepta-2,4,6-trien-1-ylidenecyclohexa-2,5-dien-1-ylidene)-dimethylazanium
SMILESC[N+](C)=C1C=CC(=C2C=CC=CC=C2)C=C1
InChIInChI=1S/C15H16N/c1-16(2)15-11-9-14(10-12-15)13-7-5-3-4-6-8-13/h3-12H,1-2H3/q+1
InChIKeyXMVMYEIRIIRKOE-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.80
Rot. Bonds

About (4-cyclohepta-2,4,6-trien-1-ylidenecyclohexa-2,5-dien-1-ylidene)-dimethylazanium

(4-cyclohepta-2,4,6-trien-1-ylidenecyclohexa-2,5-dien-1-ylidene)-dimethylazanium (PubChem CID 10979802) has the molecular formula C15H16N+ and a molecular weight of 210.30 g/mol. Its IUPAC name is (4-cyclohepta-2,4,6-trien-1-ylidenecyclohexa-2,5-dien-1-ylidene)-dimethylazanium.

Molecular Properties

Compound Name(4-cyclohepta-2,4,6-trien-1-ylidenecyclohexa-2,5-dien-1-ylidene)-dimethylazanium
PubChem CID10979802
Molecular FormulaC15H16N+
Molecular Weight210.30 g/mol
Exact Mass210.13
IUPAC Name(4-cyclohepta-2,4,6-trien-1-ylidenecyclohexa-2,5-dien-1-ylidene)-dimethylazanium
SMILESC[N+](C)=C1C=CC(=C2C=CC=CC=C2)C=C1
InChIInChI=1S/C15H16N/c1-16(2)15-11-9-14(10-12-15)13-7-5-3-4-6-8-13/h3-12H,1-2H3/q+1
InChIKeyXMVMYEIRIIRKOE-UHFFFAOYSA-N
XLogP2.80
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (4-cyclohepta-2,4,6-trien-1-ylidenecyclohexa-2,5-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

Frequently Asked Questions

What is the IUPAC name of (4-cyclohepta-2,4,6-trien-1-ylidenecyclohexa-2,5-dien-1-ylidene)-dimethylazanium?
The IUPAC name of (4-cyclohepta-2,4,6-trien-1-ylidenecyclohexa-2,5-dien-1-ylidene)-dimethylazanium (CID 10979802) is (4-cyclohepta-2,4,6-trien-1-ylidenecyclohexa-2,5-dien-1-ylidene)-dimethylazanium.
What is the SMILES notation for (4-cyclohepta-2,4,6-trien-1-ylidenecyclohexa-2,5-dien-1-ylidene)-dimethylazanium?
The canonical SMILES for (4-cyclohepta-2,4,6-trien-1-ylidenecyclohexa-2,5-dien-1-ylidene)-dimethylazanium is C[N+](C)=C1C=CC(=C2C=CC=CC=C2)C=C1.
What is the InChIKey of (4-cyclohepta-2,4,6-trien-1-ylidenecyclohexa-2,5-dien-1-ylidene)-dimethylazanium?
The InChIKey is XMVMYEIRIIRKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N/c1-16(2)15-11-9-14(10-12-15)13-7-5-3-4-6-8-13/h3-12H,1-2H3/q+1.
What are the key properties of (4-cyclohepta-2,4,6-trien-1-ylidenecyclohexa-2,5-dien-1-ylidene)-dimethylazanium?
(4-cyclohepta-2,4,6-trien-1-ylidenecyclohexa-2,5-dien-1-ylidene)-dimethylazanium has a molecular weight of 210.30 g/mol, XLogP of 2.80, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclohepta-2,4,6-trien-1-ylidenecyclohexa-2,5-dien-1-ylidene)-dimethylazanium is sourced from PubChem (CID 10979802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).