2-fluoren-9-ylidene-4-phenyl-3,4-dihydropyrazol-2-ium-5-olate

C22H16N2O — CID 135061544

IUPAC2-fluoren-9-ylidene-4-phenyl-3,4-dihydropyrazol-2-ium-5-olate
SMILES[O-]C1=N[N+](=C2c3ccccc3-c3ccccc32)CC1c1ccccc1
InChIInChI=1S/C22H16N2O/c25-22-20(15-8-2-1-3-9-15)14-24(23-22)21-18-12-6-4-10-16(18)17-11-5-7-13-19(17)21/h1-13,20H,14H2
InChIKeyKKQJXNARNPYPPK-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.99
Rot. Bonds1

About 2-fluoren-9-ylidene-4-phenyl-3,4-dihydropyrazol-2-ium-5-olate

2-fluoren-9-ylidene-4-phenyl-3,4-dihydropyrazol-2-ium-5-olate (PubChem CID 135061544) has the molecular formula C22H16N2O and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-fluoren-9-ylidene-4-phenyl-3,4-dihydropyrazol-2-ium-5-olate.

Molecular Properties

Compound Name2-fluoren-9-ylidene-4-phenyl-3,4-dihydropyrazol-2-ium-5-olate
PubChem CID135061544
Molecular FormulaC22H16N2O
Molecular Weight324.38 g/mol
Exact Mass324.13
IUPAC Name2-fluoren-9-ylidene-4-phenyl-3,4-dihydropyrazol-2-ium-5-olate
SMILES[O-]C1=N[N+](=C2c3ccccc3-c3ccccc32)CC1c1ccccc1
InChIInChI=1S/C22H16N2O/c25-22-20(15-8-2-1-3-9-15)14-24(23-22)21-18-12-6-4-10-16(18)17-11-5-7-13-19(17)21/h1-13,20H,14H2
InChIKeyKKQJXNARNPYPPK-UHFFFAOYSA-N
XLogP2.99
TPSA38.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.99
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

2-Fluoren-9-ylidene-4-(4-fluorophenyl)-3,4-dihydropyrazol-2-ium-5-olate
CID 135062015
3-Fluoren-9-ylidene-4-aza-3-azoniatricyclo[5.2.1.02,6]dec-4-en-5-olate
CID 78140525
(1S,2R,6S,7R)-3-fluoren-9-ylidene-4-aza-3-azoniatricyclo[5.2.1.02,6]dec-4-en-5-olate
CID 71656609
1-Fluoren-9-ylidene-3a,4,5,6,7,7a-hexahydroindazol-1-ium-3-olate
CID 135061542
(3R)-2-fluoren-9-ylidene-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-ium-5-olate
CID 177520601
3-Benzhydrylidene-4-aza-3-azoniatricyclo[5.2.1.02,6]dec-4-en-5-olate
CID 123952380
3-Fluoren-9-ylidene-3a,4,5,9b-tetrahydrobenzo[e]indazol-3-ium-1-olate
CID 123986522
3-Cyclohexyloxy-2-fluoren-9-ylidene-3,4-dihydropyrazol-2-ium-5-olate
CID 145574431
(1S,7R)-3-fluoren-9-ylidene-4-aza-3-azoniatricyclo[5.2.1.02,6]dec-4-en-5-olate
CID 145574442
(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

Frequently Asked Questions

What is the IUPAC name of 2-fluoren-9-ylidene-4-phenyl-3,4-dihydropyrazol-2-ium-5-olate?
The IUPAC name of 2-fluoren-9-ylidene-4-phenyl-3,4-dihydropyrazol-2-ium-5-olate (CID 135061544) is 2-fluoren-9-ylidene-4-phenyl-3,4-dihydropyrazol-2-ium-5-olate.
What is the SMILES notation for 2-fluoren-9-ylidene-4-phenyl-3,4-dihydropyrazol-2-ium-5-olate?
The canonical SMILES for 2-fluoren-9-ylidene-4-phenyl-3,4-dihydropyrazol-2-ium-5-olate is [O-]C1=N[N+](=C2c3ccccc3-c3ccccc32)CC1c1ccccc1.
What is the InChIKey of 2-fluoren-9-ylidene-4-phenyl-3,4-dihydropyrazol-2-ium-5-olate?
The InChIKey is KKQJXNARNPYPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O/c25-22-20(15-8-2-1-3-9-15)14-24(23-22)21-18-12-6-4-10-16(18)17-11-5-7-13-19(17)21/h1-13,20H,14H2.
What are the key properties of 2-fluoren-9-ylidene-4-phenyl-3,4-dihydropyrazol-2-ium-5-olate?
2-fluoren-9-ylidene-4-phenyl-3,4-dihydropyrazol-2-ium-5-olate has a molecular weight of 324.38 g/mol, XLogP of 2.99, 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-phenyl-3,4-dihydropyrazol-2-ium-5-olate is sourced from PubChem (CID 135061544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).