1-(4-ethoxyphenyl)-N-(7-nitro-9H-fluoren-2-yl)methanimine

C22H18N2O3 — CID 5136816

IUPAC1-(4-ethoxyphenyl)-N-(7-nitro-9H-fluoren-2-yl)methanimine
SMILESCCOc1ccc(/C=N/c2ccc3c(c2)Cc2cc([N+](=O)[O-])ccc2-3)cc1
InChIInChI=1S/C22H18N2O3/c1-2-27-20-7-3-15(4-8-20)14-23-18-5-9-21-16(12-18)11-17-13-19(24(25)26)6-10-22(17)21/h3-10,12-14H,2,11H2,1H3/b23-14+
InChIKeyBQYFYJZZEUOTDJ-OEAKJJBVSA-N
MW358.40 g/mol
LogP5.32
Rot. Bonds5

About 1-(4-ethoxyphenyl)-N-(7-nitro-9H-fluoren-2-yl)methanimine

1-(4-ethoxyphenyl)-N-(7-nitro-9H-fluoren-2-yl)methanimine (PubChem CID 5136816) has the molecular formula C22H18N2O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-N-(7-nitro-9H-fluoren-2-yl)methanimine.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-N-(7-nitro-9H-fluoren-2-yl)methanimine
PubChem CID5136816
Molecular FormulaC22H18N2O3
Molecular Weight358.40 g/mol
Exact Mass358.13
IUPAC Name1-(4-ethoxyphenyl)-N-(7-nitro-9H-fluoren-2-yl)methanimine
SMILESCCOc1ccc(/C=N/c2ccc3c(c2)Cc2cc([N+](=O)[O-])ccc2-3)cc1
InChIInChI=1S/C22H18N2O3/c1-2-27-20-7-3-15(4-8-20)14-23-18-5-9-21-16(12-18)11-17-13-19(24(25)26)6-10-22(17)21/h3-10,12-14H,2,11H2,1H3/b23-14+
InChIKeyBQYFYJZZEUOTDJ-OEAKJJBVSA-N
XLogP5.32
TPSA64.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.40
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-(4-ethoxyphenyl)-N-(7-nitro-9H-fluoren-2-yl)methanimine 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-(4-ethoxyphenyl)-N-(2-methyl-4-nitrophenyl)methanimine
CID 3904507
N-(4-chloro-3-nitrophenyl)-1-(4-ethoxyphenyl)methanimine
CID 767231
2-[(4-ethoxyphenyl)iminomethyl]-4-nitrophenol
CID 710256
2-[(4-ethoxyphenyl)methylideneamino]fluoren-9-one
CID 821961
N-[(E)-(4-ethoxyphenyl)methylideneamino]-4-nitroaniline
CID 5332551
1-(4-ethoxyphenyl)-N-[4-[4-[(4-ethoxyphenyl)methylideneamino]phenoxy]phenyl]methanimine
CID 3287327
1-[3-bromo-4-(2,4-dinitrophenoxy)-5-ethoxyphenyl]-N-(4-ethoxyphenyl)methanimine
CID 126223092
1-[7-[(4-decoxyphenyl)methylideneamino]-9H-fluoren-2-yl]propan-1-one
CID 100997247
1-[2-(2,4-dinitrophenoxy)phenyl]-N-(4-ethoxyphenyl)methanimine
CID 126215266
2-ethoxy-4-[(4-ethoxyphenyl)iminomethyl]-6-nitrophenol
CID 137059492
1-(4-ethoxyphenyl)-N-(4-methylphenyl)methanimine
CID 767226
1-[4-(2,4-dinitrophenoxy)-3-iodo-5-methoxyphenyl]-N-(4-ethoxyphenyl)methanimine
CID 126216955

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-N-(7-nitro-9H-fluoren-2-yl)methanimine?
The IUPAC name of 1-(4-ethoxyphenyl)-N-(7-nitro-9H-fluoren-2-yl)methanimine (CID 5136816) is 1-(4-ethoxyphenyl)-N-(7-nitro-9H-fluoren-2-yl)methanimine.
What is the SMILES notation for 1-(4-ethoxyphenyl)-N-(7-nitro-9H-fluoren-2-yl)methanimine?
The canonical SMILES for 1-(4-ethoxyphenyl)-N-(7-nitro-9H-fluoren-2-yl)methanimine is CCOc1ccc(/C=N/c2ccc3c(c2)Cc2cc([N+](=O)[O-])ccc2-3)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-N-(7-nitro-9H-fluoren-2-yl)methanimine?
The InChIKey is BQYFYJZZEUOTDJ-OEAKJJBVSA-N. The full InChI is InChI=1S/C22H18N2O3/c1-2-27-20-7-3-15(4-8-20)14-23-18-5-9-21-16(12-18)11-17-13-19(24(25)26)6-10-22(17)21/h3-10,12-14H,2,11H2,1H3/b23-14+.
What are the key properties of 1-(4-ethoxyphenyl)-N-(7-nitro-9H-fluoren-2-yl)methanimine?
1-(4-ethoxyphenyl)-N-(7-nitro-9H-fluoren-2-yl)methanimine has a molecular weight of 358.40 g/mol, XLogP of 5.32, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-N-(7-nitro-9H-fluoren-2-yl)methanimine is sourced from PubChem (CID 5136816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).