[(4E)-4-[[4-(dimethylamino)benzene-6-id-1-yl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium;yttrium

C17H19N2Y- — CID 58436140

IUPAC[(4E)-4-[[4-(dimethylamino)benzene-6-id-1-yl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium;yttrium
SMILESCN(C)c1c[c-]c(/C=C2\[C-]=CC(=[N+](C)C)C=C2)cc1.[Y]
InChIInChI=1S/C17H19N2.Y/c1-18(2)16-9-5-14(6-10-16)13-15-7-11-17(12-8-15)19(3)4;/h5,7,9-13H,1-4H3;/q-1;
InChIKeyIQPWJBPXTSICND-UHFFFAOYSA-N
MW340.26 g/mol
LogP2.58
Rot. Bonds2

About [(4E)-4-[[4-(dimethylamino)benzene-6-id-1-yl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium;yttrium

[(4E)-4-[[4-(dimethylamino)benzene-6-id-1-yl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium;yttrium (PubChem CID 58436140) has the molecular formula C17H19N2Y- and a molecular weight of 340.26 g/mol. Its IUPAC name is [(4E)-4-[[4-(dimethylamino)benzene-6-id-1-yl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium;yttrium.

Molecular Properties

Compound Name[(4E)-4-[[4-(dimethylamino)benzene-6-id-1-yl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium;yttrium
PubChem CID58436140
Molecular FormulaC17H19N2Y-
Molecular Weight340.26 g/mol
Exact Mass340.06
IUPAC Name[(4E)-4-[[4-(dimethylamino)benzene-6-id-1-yl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium;yttrium
SMILESCN(C)c1c[c-]c(/C=C2\[C-]=CC(=[N+](C)C)C=C2)cc1.[Y]
InChIInChI=1S/C17H19N2.Y/c1-18(2)16-9-5-14(6-10-16)13-15-7-11-17(12-8-15)19(3)4;/h5,7,9-13H,1-4H3;/q-1;
InChIKeyIQPWJBPXTSICND-UHFFFAOYSA-N
XLogP2.58
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.26
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'ene_quin_methide(10)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze [(4E)-4-[[4-(dimethylamino)benzene-6-id-1-yl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium;yttrium 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

2-Diethylamino-3h-acridine
CID 137346134
N,N-dimethyl-4-[(1,2,2,4-tetramethyl-7H-quinolin-1-ium-7-id-6-ylidene)amino]benzene-5-id-1-amine;yttrium
CID 58689975
2-methyl-5H-quinolin-5-ide;yttrium
CID 59098005
(E)-N,N,3-trimethyl-4-[(2Z)-4-methylpenta-2,4-dien-2-yl]imino-2-[(Z)-prop-1-enyl]pent-2-en-1-amine
CID 126636351
5-Methyl-2-methylidene-1-(1-methyl-4-pyridinylidene)pyridin-1-ium
CID 126755559
1-[3,4-bis(methylimino)cyclohexa-1,5-dien-1-yl]-N,N-dimethylethenamine
CID 132039809
ethane;6-methyl-7H-1,6-naphthyridine
CID 142893894
ethane;2-methyl-6,7-dihydroquinoline;N,N,N',N'-tetramethylethane-1,2-diamine
CID 144213736
1,2-Dimethyl-6,7-dihydroquinolin-1-ium;ethane
CID 144659210
[4-[[4-(Dimethylamino)benzene-6-id-1-yl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium;yttrium
CID 147624870
zinc bis(2-methyl-8H-quinolin-8-ide)
CID 152604842
2,2,6,6-Tetramethylacridine
CID 154019168

Frequently Asked Questions

What is the IUPAC name of [(4E)-4-[[4-(dimethylamino)benzene-6-id-1-yl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium;yttrium?
The IUPAC name of [(4E)-4-[[4-(dimethylamino)benzene-6-id-1-yl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium;yttrium (CID 58436140) is [(4E)-4-[[4-(dimethylamino)benzene-6-id-1-yl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium;yttrium.
What is the SMILES notation for [(4E)-4-[[4-(dimethylamino)benzene-6-id-1-yl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium;yttrium?
The canonical SMILES for [(4E)-4-[[4-(dimethylamino)benzene-6-id-1-yl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium;yttrium is CN(C)c1c[c-]c(/C=C2\[C-]=CC(=[N+](C)C)C=C2)cc1.[Y].
What is the InChIKey of [(4E)-4-[[4-(dimethylamino)benzene-6-id-1-yl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium;yttrium?
The InChIKey is IQPWJBPXTSICND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N2.Y/c1-18(2)16-9-5-14(6-10-16)13-15-7-11-17(12-8-15)19(3)4;/h5,7,9-13H,1-4H3;/q-1;.
What are the key properties of [(4E)-4-[[4-(dimethylamino)benzene-6-id-1-yl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium;yttrium?
[(4E)-4-[[4-(dimethylamino)benzene-6-id-1-yl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium;yttrium has a molecular weight of 340.26 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(4E)-4-[[4-(dimethylamino)benzene-6-id-1-yl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium;yttrium is sourced from PubChem (CID 58436140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).