[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'}

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Related Compounds

[4-[[3-(dimethylamino)phenyl]-phenylmethylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium
CID 14574834
[10-[2-(bromomethyl)phenyl]-7-(dimethylamino)-5,5-dimethylbenzo[b][1]benzosilin-3-ylidene]-dimethylazanium
CID 123825743
4-N,4-N-dimethyl-2-phenylbenzene-1,4-diamine
CID 18371357
[6-(dimethylamino)-9-[10-ethyl-9-(hydroxymethyl)anthracen-2-yl]-10,10-dimethylthioxanthen-3-ylidene]-dimethylazanium;ethane
CID 153384984
[4-[[4-(dimethylamino)phenyl]-phenylmethylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium chloride
CID 11294
[(4E)-4-[3,5-bis(dimethylamino)fluoren-9-ylidene]naphthalen-1-ylidene]-dimethylazanium
CID 177422965
[7-(dimethylamino)-10-(2-methylphenyl)-5,5-dioctylbenzo[b][1]benzosilin-3-ylidene]-dimethylazanium
CID 175876291
[10-(5-bromo-2,4-dimethylphenyl)-7-(dimethylamino)-5,5-dimethylbenzo[b][1]benzosilin-3-ylidene]-dimethylazanium
CID 155760899
[7-(dimethylamino)-10-(2-methylphenyl)-9,9-bis(trifluoromethyl)anthracen-2-ylidene]-dimethylazanium;ethenol
CID 178176797
[10-(2,4-dicarboxyphenyl)-7-(dimethylamino)-5,5-dimethylbenzo[b][1]benzosilin-3-ylidene]-dimethylazanium
CID 71509947
[9-[4-[2-[10-(aminomethyl)-9-[(2-formylhydrazinyl)methyl]anthracen-2-yl]ethynyl]phenyl]-6-(dimethylamino)-10,10-dimethylthioxanthen-3-ylidene]-dimethylazanium
CID 153385055
[7-(dimethylamino)-10-(1-hydroxyethyl)-9,9-dimethylanthracen-2-ylidene]-dimethylazanium;ethane
CID 170787544

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).