[7-(dimethylamino)-9,9-diethylanthracen-2-ylidene]-dimethylazanium

C22H29N2+ — CID 23528837

IUPAC[7-(dimethylamino)-9,9-diethylanthracen-2-ylidene]-dimethylazanium
SMILESCCC1(CC)C2=CC(=[N+](C)C)C=CC2=Cc2ccc(N(C)C)cc21
InChIInChI=1S/C22H29N2/c1-7-22(8-2)20-14-18(23(3)4)11-9-16(20)13-17-10-12-19(24(5)6)15-21(17)22/h9-15H,7-8H2,1-6H3/q+1
InChIKeyRVTBBNIFNHDEAA-UHFFFAOYSA-N
MW321.49 g/mol
LogP4.42
Rot. Bonds3

About [7-(dimethylamino)-9,9-diethylanthracen-2-ylidene]-dimethylazanium

[7-(dimethylamino)-9,9-diethylanthracen-2-ylidene]-dimethylazanium (PubChem CID 23528837) has the molecular formula C22H29N2+ and a molecular weight of 321.49 g/mol. Its IUPAC name is [7-(dimethylamino)-9,9-diethylanthracen-2-ylidene]-dimethylazanium.

Molecular Properties

Compound Name[7-(dimethylamino)-9,9-diethylanthracen-2-ylidene]-dimethylazanium
PubChem CID23528837
Molecular FormulaC22H29N2+
Molecular Weight321.49 g/mol
Exact Mass321.23
IUPAC Name[7-(dimethylamino)-9,9-diethylanthracen-2-ylidene]-dimethylazanium
SMILESCCC1(CC)C2=CC(=[N+](C)C)C=CC2=Cc2ccc(N(C)C)cc21
InChIInChI=1S/C22H29N2/c1-7-22(8-2)20-14-18(23(3)4)11-9-16(20)13-17-10-12-19(24(5)6)15-21(17)22/h9-15H,7-8H2,1-6H3/q+1
InChIKeyRVTBBNIFNHDEAA-UHFFFAOYSA-N
XLogP4.42
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.49
LogP ≤ 54.42
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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

[7-(diethylamino)-9,9-dimethylanthracen-2-ylidene]-dimethylazanium;methane
CID 158364674
[7-(dimethylamino)-10-(1-hydroxyethyl)-9,9-dimethylanthracen-2-ylidene]-dimethylazanium;ethane
CID 170787544
[7-(dimethylamino)-10-di(propan-2-yloxy)phosphoryl-9,9-dimethylanthracen-2-ylidene]-dimethylazanium
CID 140893315
[6-(dimethylamino)-9-phenylfluoren-3-ylidene]-dimethylazanium
CID 58596196
[7-(dimethylamino)-10-(2-methylphenyl)-9,9-bis(trifluoromethyl)anthracen-2-ylidene]-dimethylazanium;ethenol
CID 178176797
[4-[bis[4-(dimethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium
CID 3468
[4-[bis[4-(dimethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium chloride
CID 11057
[4-[[3-(dimethylamino)phenyl]-phenylmethylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium
CID 14574834
4-[(7-dimethylazaniumylidene-9,9-dimethyl-10-propan-2-ylanthracen-2-yl)-methylamino]butanoate
CID 58069277
zinc;[4-[bis[4-(dimethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium;tetrachloride
CID 170839980
bis[4-(dimethylamino)phenyl]-(4-dimethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)azanium;ethane
CID 54201575
dichlorozinc;[4-[[4-(dimethylamino)phenyl]-(4-dimethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]phenyl]-ethyl-dimethylazanium;dichloride
CID 3084002

Frequently Asked Questions

What is the IUPAC name of [7-(dimethylamino)-9,9-diethylanthracen-2-ylidene]-dimethylazanium?
The IUPAC name of [7-(dimethylamino)-9,9-diethylanthracen-2-ylidene]-dimethylazanium (CID 23528837) is [7-(dimethylamino)-9,9-diethylanthracen-2-ylidene]-dimethylazanium.
What is the SMILES notation for [7-(dimethylamino)-9,9-diethylanthracen-2-ylidene]-dimethylazanium?
The canonical SMILES for [7-(dimethylamino)-9,9-diethylanthracen-2-ylidene]-dimethylazanium is CCC1(CC)C2=CC(=[N+](C)C)C=CC2=Cc2ccc(N(C)C)cc21.
What is the InChIKey of [7-(dimethylamino)-9,9-diethylanthracen-2-ylidene]-dimethylazanium?
The InChIKey is RVTBBNIFNHDEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N2/c1-7-22(8-2)20-14-18(23(3)4)11-9-16(20)13-17-10-12-19(24(5)6)15-21(17)22/h9-15H,7-8H2,1-6H3/q+1.
What are the key properties of [7-(dimethylamino)-9,9-diethylanthracen-2-ylidene]-dimethylazanium?
[7-(dimethylamino)-9,9-diethylanthracen-2-ylidene]-dimethylazanium has a molecular weight of 321.49 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(dimethylamino)-9,9-diethylanthracen-2-ylidene]-dimethylazanium is sourced from PubChem (CID 23528837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).