N-(2-methoxyphenyl)-2,4,5,7-tetranitrofluoren-9-imine

C20H11N5O9 — CID 59920571

IUPACN-(2-methoxyphenyl)-2,4,5,7-tetranitrofluoren-9-imine
SMILESCOc1ccccc1N=C1c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2-c2c1cc([N+](=O)[O-])cc2[N+](=O)[O-]
InChIInChI=1S/C20H11N5O9/c1-34-17-5-3-2-4-14(17)21-20-12-6-10(22(26)27)8-15(24(30)31)18(12)19-13(20)7-11(23(28)29)9-16(19)25(32)33/h2-9H,1H3
InChIKeyDQDKCSNGEDNFTP-UHFFFAOYSA-N
MW465.33 g/mol
LogP4.48
Rot. Bonds6

About N-(2-methoxyphenyl)-2,4,5,7-tetranitrofluoren-9-imine

N-(2-methoxyphenyl)-2,4,5,7-tetranitrofluoren-9-imine (PubChem CID 59920571) has the molecular formula C20H11N5O9 and a molecular weight of 465.33 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2,4,5,7-tetranitrofluoren-9-imine.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2,4,5,7-tetranitrofluoren-9-imine
PubChem CID59920571
Molecular FormulaC20H11N5O9
Molecular Weight465.33 g/mol
Exact Mass465.06
IUPAC NameN-(2-methoxyphenyl)-2,4,5,7-tetranitrofluoren-9-imine
SMILESCOc1ccccc1N=C1c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2-c2c1cc([N+](=O)[O-])cc2[N+](=O)[O-]
InChIInChI=1S/C20H11N5O9/c1-34-17-5-3-2-4-14(17)21-20-12-6-10(22(26)27)8-15(24(30)31)18(12)19-13(20)7-11(23(28)29)9-16(19)25(32)33/h2-9H,1H3
InChIKeyDQDKCSNGEDNFTP-UHFFFAOYSA-N
XLogP4.48
TPSA194.15 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.33
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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 N-(2-methoxyphenyl)-2,4,5,7-tetranitrofluoren-9-imine 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

2-methyl-4,5,7-trinitro-N-(2-phenoxyphenyl)fluoren-9-imine
CID 59944936
N-(2-ethylphenyl)-2,4,7-trinitrofluoren-9-imine
CID 10047609
2-ethyl-3,5,7-trinitro-N-(2-propan-2-ylphenyl)fluoren-9-imine
CID 54489624
N-(2,6-dimethylphenyl)-7-methyl-2,4-dinitrofluoren-9-imine
CID 59944953
(3R)-3-[(2,4,5,7-tetranitrofluoren-9-ylidene)amino]oxybutan-2-one
CID 89366286
2-methoxy-N-methylcyclohepta-2,4,6-trien-1-imine;2,4,6-trinitrophenolate
CID 175684338
(2S)-2-acetyl-3-(2-methoxyphenyl)imino-6-nitroinden-1-one
CID 124524765
2-methoxy-N-(2,4,6-trinitrophenoxy)aniline
CID 88595157
2,4,7-trinitro-N-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]fluoren-9-imine
CID 22899739
9-[(4-methoxyphenyl)methylidene]-2,4,5,7-tetranitrofluorene
CID 2775527
1-(2-methoxyphenyl)-2-nitrobenzene
CID 818687
1,3-dimethoxy-2-(2-methyl-5-nitrophenyl)benzene
CID 173253076

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2,4,5,7-tetranitrofluoren-9-imine?
The IUPAC name of N-(2-methoxyphenyl)-2,4,5,7-tetranitrofluoren-9-imine (CID 59920571) is N-(2-methoxyphenyl)-2,4,5,7-tetranitrofluoren-9-imine.
What is the SMILES notation for N-(2-methoxyphenyl)-2,4,5,7-tetranitrofluoren-9-imine?
The canonical SMILES for N-(2-methoxyphenyl)-2,4,5,7-tetranitrofluoren-9-imine is COc1ccccc1N=C1c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2-c2c1cc([N+](=O)[O-])cc2[N+](=O)[O-].
What is the InChIKey of N-(2-methoxyphenyl)-2,4,5,7-tetranitrofluoren-9-imine?
The InChIKey is DQDKCSNGEDNFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11N5O9/c1-34-17-5-3-2-4-14(17)21-20-12-6-10(22(26)27)8-15(24(30)31)18(12)19-13(20)7-11(23(28)29)9-16(19)25(32)33/h2-9H,1H3.
What are the key properties of N-(2-methoxyphenyl)-2,4,5,7-tetranitrofluoren-9-imine?
N-(2-methoxyphenyl)-2,4,5,7-tetranitrofluoren-9-imine has a molecular weight of 465.33 g/mol, XLogP of 4.48, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2,4,5,7-tetranitrofluoren-9-imine is sourced from PubChem (CID 59920571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).