[6-(dimethylamino)-9-phenylfluoren-3-ylidene]-dimethylazanium

C23H23N2+ — CID 58596196

IUPAC[6-(dimethylamino)-9-phenylfluoren-3-ylidene]-dimethylazanium
SMILESCN(C)c1ccc2c(c1)C1=CC(=[N+](C)C)C=CC1=C2c1ccccc1
InChIInChI=1S/C23H23N2/c1-24(2)17-10-12-19-21(14-17)22-15-18(25(3)4)11-13-20(22)23(19)16-8-6-5-7-9-16/h5-15H,1-4H3/q+1
InChIKeyUWFLSQYMMYFFLY-UHFFFAOYSA-N
MW327.45 g/mol
LogP4.23
Rot. Bonds2

About [6-(dimethylamino)-9-phenylfluoren-3-ylidene]-dimethylazanium

[6-(dimethylamino)-9-phenylfluoren-3-ylidene]-dimethylazanium (PubChem CID 58596196) has the molecular formula C23H23N2+ and a molecular weight of 327.45 g/mol. Its IUPAC name is [6-(dimethylamino)-9-phenylfluoren-3-ylidene]-dimethylazanium.

Molecular Properties

Compound Name[6-(dimethylamino)-9-phenylfluoren-3-ylidene]-dimethylazanium
PubChem CID58596196
Molecular FormulaC23H23N2+
Molecular Weight327.45 g/mol
Exact Mass327.19
IUPAC Name[6-(dimethylamino)-9-phenylfluoren-3-ylidene]-dimethylazanium
SMILESCN(C)c1ccc2c(c1)C1=CC(=[N+](C)C)C=CC1=C2c1ccccc1
InChIInChI=1S/C23H23N2/c1-24(2)17-10-12-19-21(14-17)22-15-18(25(3)4)11-13-20(22)23(19)16-8-6-5-7-9-16/h5-15H,1-4H3/q+1
InChIKeyUWFLSQYMMYFFLY-UHFFFAOYSA-N
XLogP4.23
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 54.23
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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze [6-(dimethylamino)-9-phenylfluoren-3-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 [6-(dimethylamino)-9-phenylfluoren-3-ylidene]-dimethylazanium?
The IUPAC name of [6-(dimethylamino)-9-phenylfluoren-3-ylidene]-dimethylazanium (CID 58596196) is [6-(dimethylamino)-9-phenylfluoren-3-ylidene]-dimethylazanium.
What is the SMILES notation for [6-(dimethylamino)-9-phenylfluoren-3-ylidene]-dimethylazanium?
The canonical SMILES for [6-(dimethylamino)-9-phenylfluoren-3-ylidene]-dimethylazanium is CN(C)c1ccc2c(c1)C1=CC(=[N+](C)C)C=CC1=C2c1ccccc1.
What is the InChIKey of [6-(dimethylamino)-9-phenylfluoren-3-ylidene]-dimethylazanium?
The InChIKey is UWFLSQYMMYFFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N2/c1-24(2)17-10-12-19-21(14-17)22-15-18(25(3)4)11-13-20(22)23(19)16-8-6-5-7-9-16/h5-15H,1-4H3/q+1.
What are the key properties of [6-(dimethylamino)-9-phenylfluoren-3-ylidene]-dimethylazanium?
[6-(dimethylamino)-9-phenylfluoren-3-ylidene]-dimethylazanium has a molecular weight of 327.45 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(dimethylamino)-9-phenylfluoren-3-ylidene]-dimethylazanium is sourced from PubChem (CID 58596196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).