[7-(dimethylamino)-10-(1-hydroxyethyl)-9,9-dimethylanthracen-2-ylidene]-dimethylazanium;ethane

C24H35N2O+ — CID 170787544

IUPAC[7-(dimethylamino)-10-(1-hydroxyethyl)-9,9-dimethylanthracen-2-ylidene]-dimethylazanium;ethane
SMILESCC.CC(O)C1=C2C=CC(=[N+](C)C)C=C2C(C)(C)c2cc(N(C)C)ccc21
InChIInChI=1S/C22H29N2O.C2H6/c1-14(25)21-17-10-8-15(23(4)5)12-19(17)22(2,3)20-13-16(24(6)7)9-11-18(20)21;1-2/h8-14,25H,1-7H3;1-2H3/q+1;
InChIKeyGDOHXFRUARINHU-UHFFFAOYSA-N
MW367.56 g/mol
LogP4.41
Rot. Bonds2

About [7-(dimethylamino)-10-(1-hydroxyethyl)-9,9-dimethylanthracen-2-ylidene]-dimethylazanium;ethane

[7-(dimethylamino)-10-(1-hydroxyethyl)-9,9-dimethylanthracen-2-ylidene]-dimethylazanium;ethane (PubChem CID 170787544) has the molecular formula C24H35N2O+ and a molecular weight of 367.56 g/mol. Its IUPAC name is [7-(dimethylamino)-10-(1-hydroxyethyl)-9,9-dimethylanthracen-2-ylidene]-dimethylazanium;ethane.

Molecular Properties

Compound Name[7-(dimethylamino)-10-(1-hydroxyethyl)-9,9-dimethylanthracen-2-ylidene]-dimethylazanium;ethane
PubChem CID170787544
Molecular FormulaC24H35N2O+
Molecular Weight367.56 g/mol
Exact Mass367.27
IUPAC Name[7-(dimethylamino)-10-(1-hydroxyethyl)-9,9-dimethylanthracen-2-ylidene]-dimethylazanium;ethane
SMILESCC.CC(O)C1=C2C=CC(=[N+](C)C)C=C2C(C)(C)c2cc(N(C)C)ccc21
InChIInChI=1S/C22H29N2O.C2H6/c1-14(25)21-17-10-8-15(23(4)5)12-19(17)22(2,3)20-13-16(24(6)7)9-11-18(20)21;1-2/h8-14,25H,1-7H3;1-2H3/q+1;
InChIKeyGDOHXFRUARINHU-UHFFFAOYSA-N
XLogP4.41
TPSA26.48 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.56
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [7-(dimethylamino)-10-(1-hydroxyethyl)-9,9-dimethylanthracen-2-ylidene]-dimethylazanium;ethane 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

[7-(dimethylamino)-10-di(propan-2-yloxy)phosphoryl-9,9-dimethylanthracen-2-ylidene]-dimethylazanium
CID 140893315
4-[(7-dimethylazaniumylidene-9,9-dimethyl-10-propan-2-ylanthracen-2-yl)-methylamino]butanoate
CID 58069277
[7-(dimethylamino)-10-[2-[4-(2,5-dioxopyrrolidin-1-yl)oxycarbonylpiperidine-1-carbonyl]phenyl]-9,9-dimethylanthracen-2-ylidene]-dimethylazanium
CID 123350482
[7-(dimethylamino)-9,9-diethylanthracen-2-ylidene]-dimethylazanium
CID 23528837
[7-(dimethylamino)-10-(2-methylphenyl)-9,9-bis(trifluoromethyl)anthracen-2-ylidene]-dimethylazanium;ethenol
CID 178176797
1-[6-(dimethylamino)-10,10-dimethyl-3H-anthracen-9-yl]ethanone
CID 170787575
[7-(diethylamino)-9,9-dimethylanthracen-2-ylidene]-dimethylazanium;methane
CID 158364674
[6-(dimethylamino)-9-phenylfluoren-3-ylidene]-dimethylazanium
CID 58596196
[10-[9-[[(2-borono-5-fluorophenyl)methyl-(6-methyl-5-oxohept-6-enyl)amino]methyl]-10-[[(2-borono-5-fluorophenyl)methyl-[3-(2-methylprop-2-enoylamino)propyl]amino]methyl]anthracen-2-yl]-7-(dimethylamino)-9,9-dimethylanthracen-2-ylidene]-dimethylazanium
CID 149423532
bis[4-(dimethylamino)phenyl]-(4-dimethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)azanium;ethane
CID 54201575
[10-[2-(bromomethyl)phenyl]-7-(dimethylamino)-5,5-dimethylbenzo[b][1]benzosilin-3-ylidene]-dimethylazanium
CID 123825743
N,N,5,6,8,8-hexamethyl-7-methylidenenaphthalen-2-amine
CID 22088221

Frequently Asked Questions

What is the IUPAC name of [7-(dimethylamino)-10-(1-hydroxyethyl)-9,9-dimethylanthracen-2-ylidene]-dimethylazanium;ethane?
The IUPAC name of [7-(dimethylamino)-10-(1-hydroxyethyl)-9,9-dimethylanthracen-2-ylidene]-dimethylazanium;ethane (CID 170787544) is [7-(dimethylamino)-10-(1-hydroxyethyl)-9,9-dimethylanthracen-2-ylidene]-dimethylazanium;ethane.
What is the SMILES notation for [7-(dimethylamino)-10-(1-hydroxyethyl)-9,9-dimethylanthracen-2-ylidene]-dimethylazanium;ethane?
The canonical SMILES for [7-(dimethylamino)-10-(1-hydroxyethyl)-9,9-dimethylanthracen-2-ylidene]-dimethylazanium;ethane is CC.CC(O)C1=C2C=CC(=[N+](C)C)C=C2C(C)(C)c2cc(N(C)C)ccc21.
What is the InChIKey of [7-(dimethylamino)-10-(1-hydroxyethyl)-9,9-dimethylanthracen-2-ylidene]-dimethylazanium;ethane?
The InChIKey is GDOHXFRUARINHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N2O.C2H6/c1-14(25)21-17-10-8-15(23(4)5)12-19(17)22(2,3)20-13-16(24(6)7)9-11-18(20)21;1-2/h8-14,25H,1-7H3;1-2H3/q+1;.
What are the key properties of [7-(dimethylamino)-10-(1-hydroxyethyl)-9,9-dimethylanthracen-2-ylidene]-dimethylazanium;ethane?
[7-(dimethylamino)-10-(1-hydroxyethyl)-9,9-dimethylanthracen-2-ylidene]-dimethylazanium;ethane has a molecular weight of 367.56 g/mol, XLogP of 4.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(dimethylamino)-10-(1-hydroxyethyl)-9,9-dimethylanthracen-2-ylidene]-dimethylazanium;ethane is sourced from PubChem (CID 170787544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).