2-fluoren-9-ylidene-4-(4-fluorophenyl)-3,4-dihydropyrazol-2-ium-5-olate

C22H15FN2O — CID 135062015

IUPAC2-fluoren-9-ylidene-4-(4-fluorophenyl)-3,4-dihydropyrazol-2-ium-5-olate
SMILES[O-]C1=N[N+](=C2c3ccccc3-c3ccccc32)CC1c1ccc(F)cc1
InChIInChI=1S/C22H15FN2O/c23-15-11-9-14(10-12-15)20-13-25(24-22(20)26)21-18-7-3-1-5-16(18)17-6-2-4-8-19(17)21/h1-12,20H,13H2
InChIKeyVAGLLOCEVMWKIC-UHFFFAOYSA-N
MW342.37 g/mol
LogP3.13
Rot. Bonds1

About 2-fluoren-9-ylidene-4-(4-fluorophenyl)-3,4-dihydropyrazol-2-ium-5-olate

2-fluoren-9-ylidene-4-(4-fluorophenyl)-3,4-dihydropyrazol-2-ium-5-olate (PubChem CID 135062015) has the molecular formula C22H15FN2O and a molecular weight of 342.37 g/mol. Its IUPAC name is 2-fluoren-9-ylidene-4-(4-fluorophenyl)-3,4-dihydropyrazol-2-ium-5-olate.

Molecular Properties

Compound Name2-fluoren-9-ylidene-4-(4-fluorophenyl)-3,4-dihydropyrazol-2-ium-5-olate
PubChem CID135062015
Molecular FormulaC22H15FN2O
Molecular Weight342.37 g/mol
Exact Mass342.12
IUPAC Name2-fluoren-9-ylidene-4-(4-fluorophenyl)-3,4-dihydropyrazol-2-ium-5-olate
SMILES[O-]C1=N[N+](=C2c3ccccc3-c3ccccc32)CC1c1ccc(F)cc1
InChIInChI=1S/C22H15FN2O/c23-15-11-9-14(10-12-15)20-13-25(24-22(20)26)21-18-7-3-1-5-16(18)17-6-2-4-8-19(17)21/h1-12,20H,13H2
InChIKeyVAGLLOCEVMWKIC-UHFFFAOYSA-N
XLogP3.13
TPSA38.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-Fluoren-9-ylidene-3a,4,5,6,7,7a-hexahydroindazol-1-ium-3-olate
CID 135061542
2-Fluoren-9-ylidene-4-phenyl-3,4-dihydropyrazol-2-ium-5-olate
CID 135061544
(3R)-2-fluoren-9-ylidene-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-ium-5-olate
CID 177520601
3-Fluoren-9-ylidene-3a,4,5,9b-tetrahydrobenzo[e]indazol-3-ium-1-olate
CID 123986522
(3aS)-1-(9H-fluoren-9-yl)-3a,4-dihydroindeno[1,2-c]pyrazol-1-ium-3-olate
CID 145574504
2-Fluoren-9-ylidene-3-phenyl-3,4-dihydropyrazol-2-ium-5-olate
CID 154070878
3-Butyl-2-(9H-fluoren-9-ylidene)-5-oxopyrazolidin-2-ium-1-ide
CID 154070881
(3aR,7aS)-1-fluoren-9-ylidene-3a,4,5,6,7,7a-hexahydroindazol-1-ium-3-olate
CID 154464351
3-benzylidene-4,8b-dihydro-3aH-indeno[2,1-c]pyrazol-3-ium-1-olate
CID 4623475
(3Z)-3-benzylidene-4,8b-dihydro-3aH-indeno[2,1-c]pyrazol-3-ium-1-olate
CID 6166952
CID 71530505
CID 71530505
(1R,2R,6S,7S)-3-fluoren-9-ylidene-4-aza-3-azoniatricyclo[5.2.1.02,6]deca-4,8-dien-5-olate
CID 177484116

Frequently Asked Questions

What is the IUPAC name of 2-fluoren-9-ylidene-4-(4-fluorophenyl)-3,4-dihydropyrazol-2-ium-5-olate?
The IUPAC name of 2-fluoren-9-ylidene-4-(4-fluorophenyl)-3,4-dihydropyrazol-2-ium-5-olate (CID 135062015) is 2-fluoren-9-ylidene-4-(4-fluorophenyl)-3,4-dihydropyrazol-2-ium-5-olate.
What is the SMILES notation for 2-fluoren-9-ylidene-4-(4-fluorophenyl)-3,4-dihydropyrazol-2-ium-5-olate?
The canonical SMILES for 2-fluoren-9-ylidene-4-(4-fluorophenyl)-3,4-dihydropyrazol-2-ium-5-olate is [O-]C1=N[N+](=C2c3ccccc3-c3ccccc32)CC1c1ccc(F)cc1.
What is the InChIKey of 2-fluoren-9-ylidene-4-(4-fluorophenyl)-3,4-dihydropyrazol-2-ium-5-olate?
The InChIKey is VAGLLOCEVMWKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15FN2O/c23-15-11-9-14(10-12-15)20-13-25(24-22(20)26)21-18-7-3-1-5-16(18)17-6-2-4-8-19(17)21/h1-12,20H,13H2.
What are the key properties of 2-fluoren-9-ylidene-4-(4-fluorophenyl)-3,4-dihydropyrazol-2-ium-5-olate?
2-fluoren-9-ylidene-4-(4-fluorophenyl)-3,4-dihydropyrazol-2-ium-5-olate has a molecular weight of 342.37 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoren-9-ylidene-4-(4-fluorophenyl)-3,4-dihydropyrazol-2-ium-5-olate is sourced from PubChem (CID 135062015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).