1-[7-acetyl-9-[(4-nitrophenyl)methylidene]fluoren-2-yl]ethanone

C24H17NO4 — CID 46502063

IUPAC1-[7-acetyl-9-[(4-nitrophenyl)methylidene]fluoren-2-yl]ethanone
SMILESCC(=O)c1ccc2c(c1)C(=Cc1ccc([N+](=O)[O-])cc1)c1cc(C(C)=O)ccc1-2
InChIInChI=1S/C24H17NO4/c1-14(26)17-5-9-20-21-10-6-18(15(2)27)13-24(21)22(23(20)12-17)11-16-3-7-19(8-4-16)25(28)29/h3-13H,1-2H3
InChIKeyAKUKACOXHLXWDM-UHFFFAOYSA-N
MW383.40 g/mol
LogP5.57
Rot. Bonds4

About 1-[7-acetyl-9-[(4-nitrophenyl)methylidene]fluoren-2-yl]ethanone

1-[7-acetyl-9-[(4-nitrophenyl)methylidene]fluoren-2-yl]ethanone (PubChem CID 46502063) has the molecular formula C24H17NO4 and a molecular weight of 383.40 g/mol. Its IUPAC name is 1-[7-acetyl-9-[(4-nitrophenyl)methylidene]fluoren-2-yl]ethanone.

Molecular Properties

Compound Name1-[7-acetyl-9-[(4-nitrophenyl)methylidene]fluoren-2-yl]ethanone
PubChem CID46502063
Molecular FormulaC24H17NO4
Molecular Weight383.40 g/mol
Exact Mass383.12
IUPAC Name1-[7-acetyl-9-[(4-nitrophenyl)methylidene]fluoren-2-yl]ethanone
SMILESCC(=O)c1ccc2c(c1)C(=Cc1ccc([N+](=O)[O-])cc1)c1cc(C(C)=O)ccc1-2
InChIInChI=1S/C24H17NO4/c1-14(26)17-5-9-20-21-10-6-18(15(2)27)13-24(21)22(23(20)12-17)11-16-3-7-19(8-4-16)25(28)29/h3-13H,1-2H3
InChIKeyAKUKACOXHLXWDM-UHFFFAOYSA-N
XLogP5.57
TPSA77.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.40
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 1-[7-acetyl-9-[(4-nitrophenyl)methylidene]fluoren-2-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethenyl-4-nitrobenzene;1-(4-nitrophenyl)ethanone
CID 88505164
ethane;1-(4-nitrophenyl)ethanone
CID 172597016
1-[4-[(4-nitrophenyl)methylideneamino]phenyl]ethanone
CID 620155
2,7-dinitro-9-[(4-propoxyphenyl)methylidene]fluorene
CID 4650397
1-(4-aminophenyl)ethanone;1-(4-nitrophenyl)ethanone
CID 174531319
(9E)-2-nitro-9-[[4-(trifluoromethyl)phenyl]methylidene]fluorene
CID 102122057
1-(4-nitrophenyl)ethanone;(E)-1-(4-nitrophenyl)-3-pyridin-4-ylprop-2-en-1-one
CID 160916469
(Z)-4-(4-nitrophenyl)but-3-en-2-one
CID 11769342
7-acetyl-9-oxofluorene-2-carbaldehyde
CID 145345524
(9E)-9-[(4-chlorophenyl)methylidene]-2,4,7-trinitrofluorene
CID 5285985
1-[5-(4-nitrophenyl)dibenzothiophen-5-ium-2-yl]ethanone
CID 171589570
1-[(E)-1-methylsulfinylprop-1-en-2-yl]-4-nitrobenzene
CID 11127977

Frequently Asked Questions

What is the IUPAC name of 1-[7-acetyl-9-[(4-nitrophenyl)methylidene]fluoren-2-yl]ethanone?
The IUPAC name of 1-[7-acetyl-9-[(4-nitrophenyl)methylidene]fluoren-2-yl]ethanone (CID 46502063) is 1-[7-acetyl-9-[(4-nitrophenyl)methylidene]fluoren-2-yl]ethanone.
What is the SMILES notation for 1-[7-acetyl-9-[(4-nitrophenyl)methylidene]fluoren-2-yl]ethanone?
The canonical SMILES for 1-[7-acetyl-9-[(4-nitrophenyl)methylidene]fluoren-2-yl]ethanone is CC(=O)c1ccc2c(c1)C(=Cc1ccc([N+](=O)[O-])cc1)c1cc(C(C)=O)ccc1-2.
What is the InChIKey of 1-[7-acetyl-9-[(4-nitrophenyl)methylidene]fluoren-2-yl]ethanone?
The InChIKey is AKUKACOXHLXWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17NO4/c1-14(26)17-5-9-20-21-10-6-18(15(2)27)13-24(21)22(23(20)12-17)11-16-3-7-19(8-4-16)25(28)29/h3-13H,1-2H3.
What are the key properties of 1-[7-acetyl-9-[(4-nitrophenyl)methylidene]fluoren-2-yl]ethanone?
1-[7-acetyl-9-[(4-nitrophenyl)methylidene]fluoren-2-yl]ethanone has a molecular weight of 383.40 g/mol, XLogP of 5.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-acetyl-9-[(4-nitrophenyl)methylidene]fluoren-2-yl]ethanone is sourced from PubChem (CID 46502063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).